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Showing NP-Card for Disodium sulfide (NP0337658)

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Record Information
Version2.0
Created at2024-09-11 11:48:37 UTC
Updated at2024-09-11 11:48:37 UTC
NP-MRD IDNP0337658
Secondary Accession NumbersNone
Natural Product Identification
Common NameDisodium sulfide
DescriptionSodium hydrogen-sulfide belongs to the class of inorganic compounds known as alkali metal sulfides. These are inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is an alkali metal. Based on a literature review very few articles have been published on sodium hydrogen-sulfide.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0337658 (Disodium sulfide)


  Mrv2104 05262314202D          

  2  0  0  0  0  0            999 V2000
  -98.4898    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
   98.4898    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for NP0337658 (Disodium sulfide)

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3D SDF for NP0337658 (Disodium sulfide)

  Mrv2104 05262314202D          

  2  0  0  0  0  0            999 V2000
  -98.4898    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
   98.4898    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
NP0337658

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Na].S

> <INCHI_IDENTIFIER>
InChI=1S/Na.H2S/h;1H2

> <INCHI_KEY>
UNHKSXOTUHOTAB-UHFFFAOYSA-N

> <FORMULA>
H2NaS

> <MOLECULAR_WEIGHT>
57.07

> <EXACT_MASS>
56.97749052

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium sulfane

> <JCHEM_LOGP>
-0.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
sodium polysulfide

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0337658 (Disodium sulfide)
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PDB for NP0337658 (Disodium sulfide)
HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1 Na   UNK     0    -183.848   0.000   0.000  0.00  0.00          Na+0
HETATM    2  S   UNK     0     183.848   0.000   0.000  0.00  0.00           S+0
MASTER        0    0    0    0    0    0    0    0    2    0    0    0
END

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3D PDB for NP0337658 (Disodium sulfide)
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SMILES for NP0337658 (Disodium sulfide)
[Na].S
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INCHI for NP0337658 (Disodium sulfide)
InChI=1S/Na.H2S/h;1H2
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Synonyms
ValueSource
Sodium hydrogen-sulphideGenerator
Chemical FormulaH2NaS
Average Mass57.0700 Da
Monoisotopic Mass56.97749 Da
IUPAC Namesodium sulfane
Traditional Namesodium polysulfide
CAS Registry NumberNot Available
SMILES
[Na].S
InChI Identifier
InChI=1S/Na.H2S/h;1H2
InChI KeyUNHKSXOTUHOTAB-UHFFFAOYSA-N
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 alkali metal sulfides. These are inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is an alkali metal.
KingdomInorganic compounds  
Super ClassMixed metal/non-metal compounds  
ClassAlkali metal organides  
Sub ClassAlkali metal sulfides  
Direct ParentAlkali metal sulfides  
Alternative Parents
Substituents
  • Alkali metal sulfide
    • 

  • Inorganic sulfide
    • 

  • 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
logP-0.77ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0303518  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound86586439  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References