chloro(methylsulfanyl)methane

C2H5ClS — CID 16916

IUPACchloro(methylsulfanyl)methane
SMILESCSCCl
InChIInChI=1S/C2H5ClS/c1-4-2-3/h2H2,1H3
InChIKeyJWMLCCRPDOIBAV-UHFFFAOYSA-N
MW96.58 g/mol
LogP1.55
Rot. Bonds1

About chloro(methylsulfanyl)methane

chloro(methylsulfanyl)methane (PubChem CID 16916) has the molecular formula C2H5ClS and a molecular weight of 96.58 g/mol. Its IUPAC name is chloro(methylsulfanyl)methane.

Molecular Properties

Compound Namechloro(methylsulfanyl)methane
PubChem CID16916
Molecular FormulaC2H5ClS
Molecular Weight96.58 g/mol
Exact Mass95.98
IUPAC Namechloro(methylsulfanyl)methane
SMILESCSCCl
InChIInChI=1S/C2H5ClS/c1-4-2-3/h2H2,1H3
InChIKeyJWMLCCRPDOIBAV-UHFFFAOYSA-N
XLogP1.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.58
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Chloromethylidene(dimethyl)-lambda4-sulfane
CID 134917812
Chloromethyl(dimethyl)sulfanium
CID 6383097
Chloro-(chloromethyl)-methylsulfanium
CID 16693319
Chloro(methylsulfanyl)methane;gold
CID 88050832
Chloromethane;methylsulfanylmethane
CID 145787177
[Chloromethyl(methyl)-lambda4-sulfanylidene]chromium
CID 522166
CID 16693328
CID 16693328
Chloro(methylsulfanyl)methane;gold(1+)
CID 23501348
[Chloro(dideuterio)methyl]sulfanyl-trideuteriomethane
CID 44513046

Frequently Asked Questions

What is the IUPAC name of chloro(methylsulfanyl)methane?
The IUPAC name of chloro(methylsulfanyl)methane (CID 16916) is chloro(methylsulfanyl)methane.
What is the SMILES notation for chloro(methylsulfanyl)methane?
The canonical SMILES for chloro(methylsulfanyl)methane is CSCCl.
What is the InChIKey of chloro(methylsulfanyl)methane?
The InChIKey is JWMLCCRPDOIBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClS/c1-4-2-3/h2H2,1H3.
What are the key properties of chloro(methylsulfanyl)methane?
chloro(methylsulfanyl)methane has a molecular weight of 96.58 g/mol, XLogP of 1.55, 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 16916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).