azane;(methyldisulfanyl)carbamic acid

C2H8N2O2S2 — CID 173316635

IUPACazane;(methyldisulfanyl)carbamic acid
SMILESCSSNC(=O)O.N
InChIInChI=1S/C2H5NO2S2.H3N/c1-6-7-3-2(4)5;/h3H,1H3,(H,4,5);1H3
InChIKeyWMSQCWKAWXJKCT-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.34
Rot. Bonds2

About azane;(methyldisulfanyl)carbamic acid

azane;(methyldisulfanyl)carbamic acid (PubChem CID 173316635) has the molecular formula C2H8N2O2S2 and a molecular weight of 156.23 g/mol. Its IUPAC name is azane;(methyldisulfanyl)carbamic acid.

Molecular Properties

Compound Nameazane;(methyldisulfanyl)carbamic acid
PubChem CID173316635
Molecular FormulaC2H8N2O2S2
Molecular Weight156.23 g/mol
Exact Mass156.00
IUPAC Nameazane;(methyldisulfanyl)carbamic acid
SMILESCSSNC(=O)O.N
InChIInChI=1S/C2H5NO2S2.H3N/c1-6-7-3-2(4)5;/h3H,1H3,(H,4,5);1H3
InChIKeyWMSQCWKAWXJKCT-UHFFFAOYSA-N
XLogP1.34
TPSA84.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(carboxyamino)disulfanyl]carbamic acid
CID 18413635
sodium;hydrazinecarboxylic acid;hydride;(methyldisulfanyl)methane
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CID 2754443
azane;carbonic acid
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azane;carbonic acid
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hydrogen peroxide;methylsulfanylmethane
CID 159059771
(2R)-2-(methylamino)-3-methylsulfanylpropanoic acid
CID 5288874
2-[(2-methylphenyl)-methylsulfanylmethyl]benzoic acid
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(2S)-2-(carboxyamino)-4-methylsulfanylbutanoic acid;zinc
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Frequently Asked Questions

What is the IUPAC name of azane;(methyldisulfanyl)carbamic acid?
The IUPAC name of azane;(methyldisulfanyl)carbamic acid (CID 173316635) is azane;(methyldisulfanyl)carbamic acid.
What is the SMILES notation for azane;(methyldisulfanyl)carbamic acid?
The canonical SMILES for azane;(methyldisulfanyl)carbamic acid is CSSNC(=O)O.N.
What is the InChIKey of azane;(methyldisulfanyl)carbamic acid?
The InChIKey is WMSQCWKAWXJKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2S2.H3N/c1-6-7-3-2(4)5;/h3H,1H3,(H,4,5);1H3.
What are the key properties of azane;(methyldisulfanyl)carbamic acid?
azane;(methyldisulfanyl)carbamic acid has a molecular weight of 156.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(methyldisulfanyl)carbamic acid is sourced from PubChem (CID 173316635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).