bis(sulfanyl)carbamic acid;sulfanide;sulfanylidenemolybdenum

CH4MoNO2S4- — CID 87720725

IUPACbis(sulfanyl)carbamic acid;sulfanide;sulfanylidenemolybdenum
SMILESO=C(O)N(S)S.S=[Mo].[SH-]
InChIInChI=1S/CH3NO2S2.Mo.H2S.S/c3-1(4)2(5)6;;;/h5-6H,(H,3,4);;1H2;/p-1
InChIKeyDBRSEBMYXKIAPL-UHFFFAOYSA-M
MW286.26 g/mol
LogP1.03
Rot. Bonds

About bis(sulfanyl)carbamic acid;sulfanide;sulfanylidenemolybdenum

bis(sulfanyl)carbamic acid;sulfanide;sulfanylidenemolybdenum (PubChem CID 87720725) has the molecular formula CH4MoNO2S4- and a molecular weight of 286.26 g/mol. Its IUPAC name is bis(sulfanyl)carbamic acid;sulfanide;sulfanylidenemolybdenum.

Molecular Properties

Compound Namebis(sulfanyl)carbamic acid;sulfanide;sulfanylidenemolybdenum
PubChem CID87720725
Molecular FormulaCH4MoNO2S4-
Molecular Weight286.26 g/mol
Exact Mass287.82
IUPAC Namebis(sulfanyl)carbamic acid;sulfanide;sulfanylidenemolybdenum
SMILESO=C(O)N(S)S.S=[Mo].[SH-]
InChIInChI=1S/CH3NO2S2.Mo.H2S.S/c3-1(4)2(5)6;;;/h5-6H,(H,3,4);;1H2;/p-1
InChIKeyDBRSEBMYXKIAPL-UHFFFAOYSA-M
XLogP1.03
TPSA40.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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CID 88817474
dipotassium;bis(sulfanyl)carbamic acid;hydride
CID 173459236
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CID 173103787
lithium;bis(sulfanyl)carbamic acid;hydride
CID 173029013
bis(sulfanyl)carbamic acid;piperidine
CID 174434998
potassium;1,1'-biphenyl;bis(sulfanyl)carbamic acid;hydride
CID 174741093
bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc
CID 174418079
carbonic acid;molybdenum
CID 87095974
10-[bis(sulfanyl)amino]-10-oxodecanoic acid
CID 139658616
carbonothioic O,S-acid
CID 173160462
calcium;carbonic acid;oxygen(2-)
CID 19067532
calcium;carbonic acid;difluoride
CID 174333629

Frequently Asked Questions

What is the IUPAC name of bis(sulfanyl)carbamic acid;sulfanide;sulfanylidenemolybdenum?
The IUPAC name of bis(sulfanyl)carbamic acid;sulfanide;sulfanylidenemolybdenum (CID 87720725) is bis(sulfanyl)carbamic acid;sulfanide;sulfanylidenemolybdenum.
What is the SMILES notation for bis(sulfanyl)carbamic acid;sulfanide;sulfanylidenemolybdenum?
The canonical SMILES for bis(sulfanyl)carbamic acid;sulfanide;sulfanylidenemolybdenum is O=C(O)N(S)S.S=[Mo].[SH-].
What is the InChIKey of bis(sulfanyl)carbamic acid;sulfanide;sulfanylidenemolybdenum?
The InChIKey is DBRSEBMYXKIAPL-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3NO2S2.Mo.H2S.S/c3-1(4)2(5)6;;;/h5-6H,(H,3,4);;1H2;/p-1.
What are the key properties of bis(sulfanyl)carbamic acid;sulfanide;sulfanylidenemolybdenum?
bis(sulfanyl)carbamic acid;sulfanide;sulfanylidenemolybdenum has a molecular weight of 286.26 g/mol, XLogP of 1.03, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(sulfanyl)carbamic acid;sulfanide;sulfanylidenemolybdenum is sourced from PubChem (CID 87720725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).