sodium sulfenatomethane

CH3NaOS — CID 23717576

IUPACsodium sulfenatomethane
SMILESCS[O-].[Na+]
InChIInChI=1S/CH4OS.Na/c1-3-2;/h2H,1H3;/q;+1/p-1
InChIKeyYKLWMAOKDVGFFG-UHFFFAOYSA-M
MW86.09 g/mol
LogP-2.52
Rot. Bonds

About sodium sulfenatomethane

sodium sulfenatomethane (PubChem CID 23717576) has the molecular formula CH3NaOS and a molecular weight of 86.09 g/mol. Its IUPAC name is sodium sulfenatomethane.

Molecular Properties

Compound Namesodium sulfenatomethane
PubChem CID23717576
Molecular FormulaCH3NaOS
Molecular Weight86.09 g/mol
Exact Mass85.98
IUPAC Namesodium sulfenatomethane
SMILESCS[O-].[Na+]
InChIInChI=1S/CH4OS.Na/c1-3-2;/h2H,1H3;/q;+1/p-1
InChIKeyYKLWMAOKDVGFFG-UHFFFAOYSA-M
XLogP-2.52
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 5-2.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium sulfenatomethane?
The IUPAC name of sodium sulfenatomethane (CID 23717576) is sodium sulfenatomethane.
What is the SMILES notation for sodium sulfenatomethane?
The canonical SMILES for sodium sulfenatomethane is CS[O-].[Na+].
What is the InChIKey of sodium sulfenatomethane?
The InChIKey is YKLWMAOKDVGFFG-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4OS.Na/c1-3-2;/h2H,1H3;/q;+1/p-1.
What are the key properties of sodium sulfenatomethane?
sodium sulfenatomethane has a molecular weight of 86.09 g/mol, XLogP of -2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium sulfenatomethane is sourced from PubChem (CID 23717576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).