1-chloro-4-methylsulfanylcyclohexene

C7H11ClS — CID 123346680

IUPAC1-chloro-4-methylsulfanylcyclohexene
SMILESCSC1CC=C(Cl)CC1
InChIInChI=1S/C7H11ClS/c1-9-7-4-2-6(8)3-5-7/h2,7H,3-5H2,1H3
InChIKeyXVDRKNHPUYVJRK-UHFFFAOYSA-N
MW162.69 g/mol
LogP3.02
Rot. Bonds1

About 1-chloro-4-methylsulfanylcyclohexene

1-chloro-4-methylsulfanylcyclohexene (PubChem CID 123346680) has the molecular formula C7H11ClS and a molecular weight of 162.69 g/mol. Its IUPAC name is 1-chloro-4-methylsulfanylcyclohexene.

Molecular Properties

Compound Name1-chloro-4-methylsulfanylcyclohexene
PubChem CID123346680
Molecular FormulaC7H11ClS
Molecular Weight162.69 g/mol
Exact Mass162.03
IUPAC Name1-chloro-4-methylsulfanylcyclohexene
SMILESCSC1CC=C(Cl)CC1
InChIInChI=1S/C7H11ClS/c1-9-7-4-2-6(8)3-5-7/h2,7H,3-5H2,1H3
InChIKeyXVDRKNHPUYVJRK-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.69
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-4-methylsulfanylcyclohexene with MolForge

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

Launch Full Analysis

Related Compounds

1-Chloro-4-methylsulfanylcyclohexa-1,3-diene
CID 17937115
3-Chlorocyclohex-2-ene-1-thiol
CID 88905424
1-Chloro-4-propylsulfanylcyclohexa-1,3-diene
CID 123864545
(3S)-3-chloro-2-ethyl-5-methyl-2,3-dihydrothiophene
CID 132198833
1-Chloro-4-ethylsulfanylcyclohexene
CID 163896946
3-Chloro-4-methylsulfanylcyclopentene
CID 13638726
4-Chloro-5-methylsulfanylcyclohexene
CID 129923222

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylsulfanylcyclohexene?
The IUPAC name of 1-chloro-4-methylsulfanylcyclohexene (CID 123346680) is 1-chloro-4-methylsulfanylcyclohexene.
What is the SMILES notation for 1-chloro-4-methylsulfanylcyclohexene?
The canonical SMILES for 1-chloro-4-methylsulfanylcyclohexene is CSC1CC=C(Cl)CC1.
What is the InChIKey of 1-chloro-4-methylsulfanylcyclohexene?
The InChIKey is XVDRKNHPUYVJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClS/c1-9-7-4-2-6(8)3-5-7/h2,7H,3-5H2,1H3.
What are the key properties of 1-chloro-4-methylsulfanylcyclohexene?
1-chloro-4-methylsulfanylcyclohexene has a molecular weight of 162.69 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylsulfanylcyclohexene is sourced from PubChem (CID 123346680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).