chloro(methylsulfanyl)methane

C2H4ClS+ — CID 16693328

IUPACchloro(methylsulfanyl)methane
SMILESCS[CH+]Cl
InChIInChI=1S/C2H4ClS/c1-4-2-3/h2H,1H3/q+1
InChIKeyVOWFILZWQMWAKQ-UHFFFAOYSA-N
MW95.57 g/mol
LogP1.71
Rot. Bonds1

About chloro(methylsulfanyl)methane

chloro(methylsulfanyl)methane (PubChem CID 16693328) has the molecular formula C2H4ClS+ and a molecular weight of 95.57 g/mol. Its IUPAC name is chloro(methylsulfanyl)methane.

Molecular Properties

Compound Namechloro(methylsulfanyl)methane
PubChem CID16693328
Molecular FormulaC2H4ClS+
Molecular Weight95.57 g/mol
Exact Mass94.97
IUPAC Namechloro(methylsulfanyl)methane
SMILESCS[CH+]Cl
InChIInChI=1S/C2H4ClS/c1-4-2-3/h2H,1H3/q+1
InChIKeyVOWFILZWQMWAKQ-UHFFFAOYSA-N
XLogP1.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.57
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze chloro(methylsulfanyl)methane 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 chloro(methylsulfanyl)methane?
The IUPAC name of chloro(methylsulfanyl)methane (CID 16693328) is chloro(methylsulfanyl)methane.
What is the SMILES notation for chloro(methylsulfanyl)methane?
The canonical SMILES for chloro(methylsulfanyl)methane is CS[CH+]Cl.
What is the InChIKey of chloro(methylsulfanyl)methane?
The InChIKey is VOWFILZWQMWAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClS/c1-4-2-3/h2H,1H3/q+1.
What are the key properties of chloro(methylsulfanyl)methane?
chloro(methylsulfanyl)methane has a molecular weight of 95.57 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(methylsulfanyl)methane is sourced from PubChem (CID 16693328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).