sulfenatomethane

CH3OS- — CID 14818482

IUPACsulfenatomethane
SMILESCS[O-]
InChIInChI=1S/CH4OS/c1-3-2/h2H,1H3/p-1
InChIKeyVLGWYKOEXANHJT-UHFFFAOYSA-M
MW63.10 g/mol
LogP0.48
Rot. Bonds

About sulfenatomethane

sulfenatomethane (PubChem CID 14818482) has the molecular formula CH3OS- and a molecular weight of 63.10 g/mol. Its IUPAC name is sulfenatomethane.

Molecular Properties

Compound Namesulfenatomethane
PubChem CID14818482
Molecular FormulaCH3OS-
Molecular Weight63.10 g/mol
Exact Mass62.99
IUPAC Namesulfenatomethane
SMILESCS[O-]
InChIInChI=1S/CH4OS/c1-3-2/h2H,1H3/p-1
InChIKeyVLGWYKOEXANHJT-UHFFFAOYSA-M
XLogP0.48
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50063.10
LogP ≤ 50.48
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 sulfenatomethane?
The IUPAC name of sulfenatomethane (CID 14818482) is sulfenatomethane.
What is the SMILES notation for sulfenatomethane?
The canonical SMILES for sulfenatomethane is CS[O-].
What is the InChIKey of sulfenatomethane?
The InChIKey is VLGWYKOEXANHJT-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4OS/c1-3-2/h2H,1H3/p-1.
What are the key properties of sulfenatomethane?
sulfenatomethane has a molecular weight of 63.10 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfenatomethane is sourced from PubChem (CID 14818482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).