sodium sulfenatomethanol

CH3NaO2S — CID 141194127

IUPACsodium sulfenatomethanol
SMILES[Na+].[O-]SCO
InChIInChI=1S/CH4O2S.Na/c2-1-4-3;/h2-3H,1H2;/q;+1/p-1
InChIKeyHBFBLVWZKBLTQQ-UHFFFAOYSA-M
MW102.09 g/mol
LogP-3.20
Rot. Bonds1

About sodium sulfenatomethanol

sodium sulfenatomethanol (PubChem CID 141194127) has the molecular formula CH3NaO2S and a molecular weight of 102.09 g/mol. Its IUPAC name is sodium sulfenatomethanol.

Molecular Properties

Compound Namesodium sulfenatomethanol
PubChem CID141194127
Molecular FormulaCH3NaO2S
Molecular Weight102.09 g/mol
Exact Mass101.98
IUPAC Namesodium sulfenatomethanol
SMILES[Na+].[O-]SCO
InChIInChI=1S/CH4O2S.Na/c2-1-4-3;/h2-3H,1H2;/q;+1/p-1
InChIKeyHBFBLVWZKBLTQQ-UHFFFAOYSA-M
XLogP-3.20
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-3.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium sulfenatomethanol?
The IUPAC name of sodium sulfenatomethanol (CID 141194127) is sodium sulfenatomethanol.
What is the SMILES notation for sodium sulfenatomethanol?
The canonical SMILES for sodium sulfenatomethanol is [Na+].[O-]SCO.
What is the InChIKey of sodium sulfenatomethanol?
The InChIKey is HBFBLVWZKBLTQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O2S.Na/c2-1-4-3;/h2-3H,1H2;/q;+1/p-1.
What are the key properties of sodium sulfenatomethanol?
sodium sulfenatomethanol has a molecular weight of 102.09 g/mol, XLogP of -3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium sulfenatomethanol is sourced from PubChem (CID 141194127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).