sodium;bis(sulfanyl)carbamic acid;hydride

CH4NNaO2S2 — CID 173103787

IUPACsodium;bis(sulfanyl)carbamic acid;hydride
SMILESO=C(O)N(S)S.[H-].[Na+]
InChIInChI=1S/CH3NO2S2.Na.H/c3-1(4)2(5)6;;/h5-6H,(H,3,4);;/q;+1;-1
InChIKeyDROGRSLFSBTQMD-UHFFFAOYSA-N
MW149.17 g/mol
LogP-2.23
Rot. Bonds

About sodium;bis(sulfanyl)carbamic acid;hydride

sodium;bis(sulfanyl)carbamic acid;hydride (PubChem CID 173103787) has the molecular formula CH4NNaO2S2 and a molecular weight of 149.17 g/mol. Its IUPAC name is sodium;bis(sulfanyl)carbamic acid;hydride.

Molecular Properties

Compound Namesodium;bis(sulfanyl)carbamic acid;hydride
PubChem CID173103787
Molecular FormulaCH4NNaO2S2
Molecular Weight149.17 g/mol
Exact Mass148.96
IUPAC Namesodium;bis(sulfanyl)carbamic acid;hydride
SMILESO=C(O)N(S)S.[H-].[Na+]
InChIInChI=1S/CH3NO2S2.Na.H/c3-1(4)2(5)6;;/h5-6H,(H,3,4);;/q;+1;-1
InChIKeyDROGRSLFSBTQMD-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 ≤ 500149.17
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

dipotassium;bis(sulfanyl)carbamic acid;hydride
CID 173459236
lithium;bis(sulfanyl)carbamic acid;hydride
CID 173029013
bis(sulfanyl)carbamic acid;zirconium
CID 88817474
bis(sulfanyl)carbamic acid;sulfanide;sulfanylidenemolybdenum
CID 87720725
calcium;disodium;carbonic acid;hydride
CID 174940412
potassium;1,1'-biphenyl;bis(sulfanyl)carbamic acid;hydride
CID 174741093
bis(sulfanyl)carbamic acid;piperidine
CID 174434998
sodium;carbonic acid;hydride
CID 173065911
tricalcium;carbonic acid;hydride
CID 173419808
trisodium;carbonic acid;hydride
CID 173012363
calcium;sodium;acetic acid;hydride
CID 173169093
bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc
CID 174418079

Frequently Asked Questions

What is the IUPAC name of sodium;bis(sulfanyl)carbamic acid;hydride?
The IUPAC name of sodium;bis(sulfanyl)carbamic acid;hydride (CID 173103787) is sodium;bis(sulfanyl)carbamic acid;hydride.
What is the SMILES notation for sodium;bis(sulfanyl)carbamic acid;hydride?
The canonical SMILES for sodium;bis(sulfanyl)carbamic acid;hydride is O=C(O)N(S)S.[H-].[Na+].
What is the InChIKey of sodium;bis(sulfanyl)carbamic acid;hydride?
The InChIKey is DROGRSLFSBTQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO2S2.Na.H/c3-1(4)2(5)6;;/h5-6H,(H,3,4);;/q;+1;-1.
What are the key properties of sodium;bis(sulfanyl)carbamic acid;hydride?
sodium;bis(sulfanyl)carbamic acid;hydride has a molecular weight of 149.17 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 sodium;bis(sulfanyl)carbamic acid;hydride is sourced from PubChem (CID 173103787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).