potassium;1,1'-biphenyl;bis(sulfanyl)carbamic acid;hydride

C13H14KNO2S2 — CID 174741093

IUPACpotassium;1,1'-biphenyl;bis(sulfanyl)carbamic acid;hydride
SMILESO=C(O)N(S)S.[H-].[K+].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.CH3NO2S2.K.H/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-1(4)2(5)6;;/h1-10H;5-6H,(H,3,4);;/q;;+1;-1
InChIKeyCZUXEQNWMRVNNA-UHFFFAOYSA-N
MW319.49 g/mol
LogP1.13
Rot. Bonds1

About potassium;1,1'-biphenyl;bis(sulfanyl)carbamic acid;hydride

potassium;1,1'-biphenyl;bis(sulfanyl)carbamic acid;hydride (PubChem CID 174741093) has the molecular formula C13H14KNO2S2 and a molecular weight of 319.49 g/mol. Its IUPAC name is potassium;1,1'-biphenyl;bis(sulfanyl)carbamic acid;hydride.

Molecular Properties

Compound Namepotassium;1,1'-biphenyl;bis(sulfanyl)carbamic acid;hydride
PubChem CID174741093
Molecular FormulaC13H14KNO2S2
Molecular Weight319.49 g/mol
Exact Mass319.01
IUPAC Namepotassium;1,1'-biphenyl;bis(sulfanyl)carbamic acid;hydride
SMILESO=C(O)N(S)S.[H-].[K+].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.CH3NO2S2.K.H/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-1(4)2(5)6;;/h1-10H;5-6H,(H,3,4);;/q;;+1;-1
InChIKeyCZUXEQNWMRVNNA-UHFFFAOYSA-N
XLogP1.13
TPSA40.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium;bis(sulfanyl)carbamic acid;hydride
CID 173029013
potassium;hydride;4-phenylbenzoic acid
CID 173045180
bis(1,1'-biphenyl);carbonate
CID 23514328
beryllium;1,1'-biphenyl;hydride
CID 173156439
potassium;1,1'-biphenyl;carbanide
CID 144916134
acetic acid;1,1'-biphenyl;ethane
CID 91464981
benzene;tris(1,1'-biphenyl)
CID 162155747
acetic acid;1,1'-biphenyl;zinc
CID 70522083
calcium;hydride;2-(4-phenylphenyl)acetic acid
CID 174946649
1,1'-biphenyl;2-hydroxyprop-2-enoic acid
CID 175089915
1,1'-biphenyl;oxaldehydic acid
CID 23024065
sodium;hydride;4-phenylbenzoic acid
CID 173392993

Frequently Asked Questions

What is the IUPAC name of potassium;1,1'-biphenyl;bis(sulfanyl)carbamic acid;hydride?
The IUPAC name of potassium;1,1'-biphenyl;bis(sulfanyl)carbamic acid;hydride (CID 174741093) is potassium;1,1'-biphenyl;bis(sulfanyl)carbamic acid;hydride.
What is the SMILES notation for potassium;1,1'-biphenyl;bis(sulfanyl)carbamic acid;hydride?
The canonical SMILES for potassium;1,1'-biphenyl;bis(sulfanyl)carbamic acid;hydride is O=C(O)N(S)S.[H-].[K+].c1ccc(-c2ccccc2)cc1.
What is the InChIKey of potassium;1,1'-biphenyl;bis(sulfanyl)carbamic acid;hydride?
The InChIKey is CZUXEQNWMRVNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.CH3NO2S2.K.H/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-1(4)2(5)6;;/h1-10H;5-6H,(H,3,4);;/q;;+1;-1.
What are the key properties of potassium;1,1'-biphenyl;bis(sulfanyl)carbamic acid;hydride?
potassium;1,1'-biphenyl;bis(sulfanyl)carbamic acid;hydride has a molecular weight of 319.49 g/mol, XLogP of 1.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1,1'-biphenyl;bis(sulfanyl)carbamic acid;hydride is sourced from PubChem (CID 174741093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).