hydroxymethyl(oxo)sulfanium

CH3O2S+ — CID 142241494

IUPAChydroxymethyl(oxo)sulfanium
SMILESO=[S+]CO
InChIInChI=1S/CH3O2S/c2-1-4-3/h2H,1H2/q+1
InChIKeyCJVUGYZWCGSHMN-UHFFFAOYSA-N
MW79.10 g/mol
LogP-0.64
Rot. Bonds1

About hydroxymethyl(oxo)sulfanium

hydroxymethyl(oxo)sulfanium (PubChem CID 142241494) has the molecular formula CH3O2S+ and a molecular weight of 79.10 g/mol. Its IUPAC name is hydroxymethyl(oxo)sulfanium.

Molecular Properties

Compound Namehydroxymethyl(oxo)sulfanium
PubChem CID142241494
Molecular FormulaCH3O2S+
Molecular Weight79.10 g/mol
Exact Mass78.98
IUPAC Namehydroxymethyl(oxo)sulfanium
SMILESO=[S+]CO
InChIInChI=1S/CH3O2S/c2-1-4-3/h2H,1H2/q+1
InChIKeyCJVUGYZWCGSHMN-UHFFFAOYSA-N
XLogP-0.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.10
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hydroxymethyl(oxo)sulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydroxymethyl(oxo)sulfanium?
The IUPAC name of hydroxymethyl(oxo)sulfanium (CID 142241494) is hydroxymethyl(oxo)sulfanium.
What is the SMILES notation for hydroxymethyl(oxo)sulfanium?
The canonical SMILES for hydroxymethyl(oxo)sulfanium is O=[S+]CO.
What is the InChIKey of hydroxymethyl(oxo)sulfanium?
The InChIKey is CJVUGYZWCGSHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3O2S/c2-1-4-3/h2H,1H2/q+1.
What are the key properties of hydroxymethyl(oxo)sulfanium?
hydroxymethyl(oxo)sulfanium has a molecular weight of 79.10 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethyl(oxo)sulfanium is sourced from PubChem (CID 142241494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).