lithium;bis(sulfanyl)carbamic acid;hydride

CH4LiNO2S2 — CID 173029013

IUPAClithium;bis(sulfanyl)carbamic acid;hydride
SMILESO=C(O)N(S)S.[H-].[Li+]
InChIInChI=1S/CH3NO2S2.Li.H/c3-1(4)2(5)6;;/h5-6H,(H,3,4);;/q;+1;-1
InChIKeyQOSMFIBPVNBANK-UHFFFAOYSA-N
MW133.12 g/mol
LogP-2.23
Rot. Bonds

About lithium;bis(sulfanyl)carbamic acid;hydride

lithium;bis(sulfanyl)carbamic acid;hydride (PubChem CID 173029013) has the molecular formula CH4LiNO2S2 and a molecular weight of 133.12 g/mol. Its IUPAC name is lithium;bis(sulfanyl)carbamic acid;hydride.

Molecular Properties

Compound Namelithium;bis(sulfanyl)carbamic acid;hydride
PubChem CID173029013
Molecular FormulaCH4LiNO2S2
Molecular Weight133.12 g/mol
Exact Mass132.98
IUPAC Namelithium;bis(sulfanyl)carbamic acid;hydride
SMILESO=C(O)N(S)S.[H-].[Li+]
InChIInChI=1S/CH3NO2S2.Li.H/c3-1(4)2(5)6;;/h5-6H,(H,3,4);;/q;+1;-1
InChIKeyQOSMFIBPVNBANK-UHFFFAOYSA-N
XLogP-2.23
TPSA40.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 5-2.23
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

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CID 173459236
sodium;bis(sulfanyl)carbamic acid;hydride
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CID 88817474
bis(sulfanyl)carbamic acid;sulfanide;sulfanylidenemolybdenum
CID 87720725
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CID 174741093
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CID 174434998
tricalcium;carbonic acid;hydride
CID 173419808
calcium;lithium;carbonic acid;hydride;molecular hydrogen
CID 174909682
bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc
CID 174418079
lithium;carbonic acid;cerium;hydride
CID 175347004
calcium;carbonic acid;hydride;phosphane
CID 174337787
CID 173204441
CID 173204441

Frequently Asked Questions

What is the IUPAC name of lithium;bis(sulfanyl)carbamic acid;hydride?
The IUPAC name of lithium;bis(sulfanyl)carbamic acid;hydride (CID 173029013) is lithium;bis(sulfanyl)carbamic acid;hydride.
What is the SMILES notation for lithium;bis(sulfanyl)carbamic acid;hydride?
The canonical SMILES for lithium;bis(sulfanyl)carbamic acid;hydride is O=C(O)N(S)S.[H-].[Li+].
What is the InChIKey of lithium;bis(sulfanyl)carbamic acid;hydride?
The InChIKey is QOSMFIBPVNBANK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO2S2.Li.H/c3-1(4)2(5)6;;/h5-6H,(H,3,4);;/q;+1;-1.
What are the key properties of lithium;bis(sulfanyl)carbamic acid;hydride?
lithium;bis(sulfanyl)carbamic acid;hydride has a molecular weight of 133.12 g/mol, XLogP of -2.23, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(sulfanyl)carbamic acid;hydride is sourced from PubChem (CID 173029013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).