Np mrd loader

Showing NP-Card for Tin chloride (SnCl4) (NP0334827)

Jump To Section:
IdentificationSpectraBioTaxonomyChemoTaxonomyPhysical propertiesLinksReferencesXML
Record Information
Version2.0
Created at2024-09-10 20:09:10 UTC
Updated at2024-09-10 20:09:10 UTC
NP-MRD IDNP0334827
Secondary Accession NumbersNone
Natural Product Identification
Common NameTin chloride (SnCl4)
DescriptionTin chloride (SnCl4), also known as stannic chloride or libavius fuming spirit, belongs to the class of inorganic compounds known as post-transition metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a post-transition metal. Tin chloride (SnCl4) is an extremely strong acidic compound (based on its pKa). Rinse mouth with water (never give anything by mouth to an unconscious person). Tin and its metabolites are excreted mainly in the urine and feces. Tin chloride (SnCl4) is a potentially toxic compound. Tin may enter the bloodstream and bind to hemoglobin, where it is distributed and accumulates mainly in the kidney, liver, lung, and bone. INGESTION: Do not induce vomiting. SKIN: Should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. Inorganic or organic tin compounds placed on the skin or in the eyes can produce skin and eye irritation. Though tin metal is very poorly absorbed, tin compounds may be absorbed via oral, inhalation, or dermal routes, with organotin compounds being much more readily absorbed than inorganic tin compounds. Seek immediate medical advice.
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0334827 (Tin chloride (SnCl4))


  Mrv1652306061823322D          

  5  4  0  0  0  0            999 V2000
    0.8250   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
Download

3D MOL for NP0334827 (Tin chloride (SnCl4))

Download
3D SDF for NP0334827 (Tin chloride (SnCl4))

  Mrv1652306061823322D          

  5  4  0  0  0  0            999 V2000
    0.8250   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0334827

> <DATABASE_NAME>
NP-MRD

> <SMILES>
Cl[Sn](Cl)(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/4ClH.Sn/h4*1H;/q;;;;+4/p-4

> <INCHI_KEY>
HPGGPRDJHPYFRM-UHFFFAOYSA-J

> <FORMULA>
Cl4Sn

> <MOLECULAR_WEIGHT>
260.52

> <EXACT_MASS>
259.777607399

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
2.3881688999999993

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tin(4+) ion tetrachloride

> <ALOGPS_LOGP>
2.62

> <JCHEM_LOGP>
0.6123387216666667

> <ALOGPS_LOGS>
-1.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-7.000000000000001

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
5.6156

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.37e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tin(4+) ion tetrachloride

> <JCHEM_VEBER_RULE>
1

$$$$

Download
3D-SDF for NP0334827 (Tin chloride (SnCl4))
Download
PDB for NP0334827 (Tin chloride (SnCl4))
HEADER    PROTEIN                                 06-JUN-18   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-JUN-18         0                                  
HETATM    1 Cl   UNK     0       1.540  -1.540   0.000  0.00  0.00          Cl+0
HETATM    2 Sn   UNK     0       1.540   0.000   0.000  0.00  0.00          Sn+0
HETATM    3 Cl   UNK     0       1.540   1.540   0.000  0.00  0.00          Cl+0
HETATM    4 Cl   UNK     0       3.080   0.000   0.000  0.00  0.00          Cl+0
HETATM    5 Cl   UNK     0       0.000   0.000   0.000  0.00  0.00          Cl+0
CONECT    1    2                                                            
CONECT    2    1    3    4    5                                             
CONECT    3    2                                                            
CONECT    4    2                                                            
CONECT    5    2                                                            
MASTER        0    0    0    0    0    0    0    0    5    0    8    0
END

Download
3D PDB for NP0334827 (Tin chloride (SnCl4))
Download
SMILES for NP0334827 (Tin chloride (SnCl4))
Cl[Sn](Cl)(Cl)Cl
Download
INCHI for NP0334827 (Tin chloride (SnCl4))
InChI=1S/4ClH.Sn/h4*1H;/q;;;;+4/p-4
Download
View in JSmol
Synonyms
ValueSource
Anhydrous tin tetrachlorideHMDB
Fascat 4400HMDB
Libavius fuming spiritHMDB
Libavius' fuming spiritHMDB
SNCL4HMDB
StagnoHMDB
Stagno (tetracloruro di)HMDB
Stannic chlorideHMDB
Stannic chloride fumingHMDB
Stannic chloride, anhydrousHMDB
Stannic tetrachlorideHMDB
Tetrachloro-stannaneHMDB
TetrachlorostannaneHMDB
Tetrachlorostannane, 9ciHMDB
TetrachlorotinHMDB
Tin (IV) chloride anhydrousHMDB
Tin chloride (1:4)HMDB
Tin chloride (SNCL4) (8ci)HMDB
Tin chloride, fumingHMDB
Tin chloride, fuming (dot)HMDB
Tin perchlorideHMDB
Tin perchloride(dot)HMDB
Tin tetrachlorideHMDB
Tin tetrachloride, anhydrousHMDB
Tin(IV) chlorideHMDB
Tin(IV) chloride (1:4)HMDB
Tin(IV) tetrachlorideHMDB
TintetrachlorideHMDB
ZinntetrachloridHMDB
Chemical FormulaCl4Sn
Average Mass260.5200 Da
Monoisotopic Mass259.77761 Da
IUPAC Nametin(4+) ion tetrachloride
Traditional Nametin(4+) ion tetrachloride
CAS Registry NumberNot Available
SMILES
Cl[Sn](Cl)(Cl)Cl
InChI Identifier
InChI=1S/4ClH.Sn/h4*1H;/q;;;;+4/p-4
InChI KeyHPGGPRDJHPYFRM-UHFFFAOYSA-J
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as post-transition metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a post-transition metal.
KingdomInorganic compounds  
Super ClassMixed metal/non-metal compounds  
ClassPost-transition metal salts  
Sub ClassPost-transition metal chlorides  
Direct ParentPost-transition metal chlorides  
Alternative Parents
Substituents
  • Post-transition metal chloride
    • 

  • Inorganic chloride salt
    • 

  • Inorganic tin salt
    • 

  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP2.62ALOGPS
logP0.61ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)-7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity5.62 m³·mol⁻¹ChemAxon
Polarizability2.39 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0036546  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB015449  
KNApSAcK IDNot Available
Chemspider ID22707  
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTin chloride  
METLIN IDNot Available
PubChem Compound24287  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available