(2-chlorocyclohexyl)sulfanylbenzene

C12H15ClS — CID 12568364

IUPAC(2-chlorocyclohexyl)sulfanylbenzene
SMILESClC1CCCCC1Sc1ccccc1
InChIInChI=1S/C12H15ClS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2
InChIKeyMEARZADTJSUNJR-UHFFFAOYSA-N
MW226.77 g/mol
LogP4.33
Rot. Bonds2

About (2-chlorocyclohexyl)sulfanylbenzene

(2-chlorocyclohexyl)sulfanylbenzene (PubChem CID 12568364) has the molecular formula C12H15ClS and a molecular weight of 226.77 g/mol. Its IUPAC name is (2-chlorocyclohexyl)sulfanylbenzene.

Molecular Properties

Compound Name(2-chlorocyclohexyl)sulfanylbenzene
PubChem CID12568364
Molecular FormulaC12H15ClS
Molecular Weight226.77 g/mol
Exact Mass226.06
IUPAC Name(2-chlorocyclohexyl)sulfanylbenzene
SMILESClC1CCCCC1Sc1ccccc1
InChIInChI=1S/C12H15ClS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2
InChIKeyMEARZADTJSUNJR-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.77
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-chlorocyclohexyl)sulfanylbenzene 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 (2-chlorocyclohexyl)sulfanylbenzene?
The IUPAC name of (2-chlorocyclohexyl)sulfanylbenzene (CID 12568364) is (2-chlorocyclohexyl)sulfanylbenzene.
What is the SMILES notation for (2-chlorocyclohexyl)sulfanylbenzene?
The canonical SMILES for (2-chlorocyclohexyl)sulfanylbenzene is ClC1CCCCC1Sc1ccccc1.
What is the InChIKey of (2-chlorocyclohexyl)sulfanylbenzene?
The InChIKey is MEARZADTJSUNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2.
What are the key properties of (2-chlorocyclohexyl)sulfanylbenzene?
(2-chlorocyclohexyl)sulfanylbenzene has a molecular weight of 226.77 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorocyclohexyl)sulfanylbenzene is sourced from PubChem (CID 12568364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).