sodium;disulfanylmethane;hydrazinecarboxylic acid;hydride

C2H9N2NaO2S2 — CID 174394474

IUPACsodium;disulfanylmethane;hydrazinecarboxylic acid;hydride
SMILESCSS.NNC(=O)O.[H-].[Na+]
InChIInChI=1S/CH4N2O2.CH4S2.Na.H/c2-3-1(4)5;1-3-2;;/h3H,2H2,(H,4,5);2H,1H3;;/q;;+1;-1
InChIKeyWMNIRTIWTZRXNP-UHFFFAOYSA-N
MW180.23 g/mol
LogP-2.56
Rot. Bonds

About sodium;disulfanylmethane;hydrazinecarboxylic acid;hydride

sodium;disulfanylmethane;hydrazinecarboxylic acid;hydride (PubChem CID 174394474) has the molecular formula C2H9N2NaO2S2 and a molecular weight of 180.23 g/mol. Its IUPAC name is sodium;disulfanylmethane;hydrazinecarboxylic acid;hydride.

Molecular Properties

Compound Namesodium;disulfanylmethane;hydrazinecarboxylic acid;hydride
PubChem CID174394474
Molecular FormulaC2H9N2NaO2S2
Molecular Weight180.23 g/mol
Exact Mass180.00
IUPAC Namesodium;disulfanylmethane;hydrazinecarboxylic acid;hydride
SMILESCSS.NNC(=O)O.[H-].[Na+]
InChIInChI=1S/CH4N2O2.CH4S2.Na.H/c2-3-1(4)5;1-3-2;;/h3H,2H2,(H,4,5);2H,1H3;;/q;;+1;-1
InChIKeyWMNIRTIWTZRXNP-UHFFFAOYSA-N
XLogP-2.56
TPSA75.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-2.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Methyldithio carbazate
CID 91065869
(Methylsulfanylamino)carbamic acid
CID 151747670
Hydrazinecarboxylic acid;(methyldisulfanyl)methane;nickel
CID 158861576
Hydrazinecarboxylic acid;(methyldisulfanyl)methane;neodymium
CID 159712573
Hydrazinecarboxylic acid;(methyldisulfanyl)methane
CID 174381974
Disulfanylmethane;hydrazinecarboxylic acid
CID 174381975
Hydrazinecarboxylic acid;(methyldisulfanyl)methane;stibane
CID 174393115
Sodium;hydrazinecarboxylic acid;hydride;(methyldisulfanyl)methane
CID 174394473
Hydrazinecarboxylic acid;(methyldisulfanyl)methane;ZINC
CID 174406776
Disulfanylmethane;hydrazinecarboxylic acid;ZINC
CID 174406777
Hydrazinecarboxylic acid;(methyldisulfanyl)methane;selane
CID 174438476
Hydrazinecarboxylic acid;methylsulfanylmethane;nickel
CID 174573115

Frequently Asked Questions

What is the IUPAC name of sodium;disulfanylmethane;hydrazinecarboxylic acid;hydride?
The IUPAC name of sodium;disulfanylmethane;hydrazinecarboxylic acid;hydride (CID 174394474) is sodium;disulfanylmethane;hydrazinecarboxylic acid;hydride.
What is the SMILES notation for sodium;disulfanylmethane;hydrazinecarboxylic acid;hydride?
The canonical SMILES for sodium;disulfanylmethane;hydrazinecarboxylic acid;hydride is CSS.NNC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;disulfanylmethane;hydrazinecarboxylic acid;hydride?
The InChIKey is WMNIRTIWTZRXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O2.CH4S2.Na.H/c2-3-1(4)5;1-3-2;;/h3H,2H2,(H,4,5);2H,1H3;;/q;;+1;-1.
What are the key properties of sodium;disulfanylmethane;hydrazinecarboxylic acid;hydride?
sodium;disulfanylmethane;hydrazinecarboxylic acid;hydride has a molecular weight of 180.23 g/mol, XLogP of -2.56, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;disulfanylmethane;hydrazinecarboxylic acid;hydride is sourced from PubChem (CID 174394474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).