1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene

C11H13ClS — CID 130670153

IUPAC1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene
SMILESC=C(Cl)CSc1ccc(C)cc1C
InChIInChI=1S/C11H13ClS/c1-8-4-5-11(9(2)6-8)13-7-10(3)12/h4-6H,3,7H2,1-2H3
InChIKeyPMCYLCQPYSELKK-UHFFFAOYSA-N
MW212.74 g/mol
LogP4.15
Rot. Bonds3

About 1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene

1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene (PubChem CID 130670153) has the molecular formula C11H13ClS and a molecular weight of 212.74 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene
PubChem CID130670153
Molecular FormulaC11H13ClS
Molecular Weight212.74 g/mol
Exact Mass212.04
IUPAC Name1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene
SMILESC=C(Cl)CSc1ccc(C)cc1C
InChIInChI=1S/C11H13ClS/c1-8-4-5-11(9(2)6-8)13-7-10(3)12/h4-6H,3,7H2,1-2H3
InChIKeyPMCYLCQPYSELKK-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.74
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene 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

2-(2-chloroprop-2-enylsulfanyl)-5-methylaniline
CID 43302796
2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 43413772
2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 2616367
acetylene;(2,4-dimethylphenyl)sulfanylmethanamine
CID 142030262
1-hydroxysulfanyl-2,4-dimethylbenzene
CID 117033827
2-(2,4-dimethylphenyl)sulfanyl-1-(1-methylpyrrol-3-yl)ethanone
CID 43413768
2-amino-2-(2,4-dimethylphenyl)sulfanylethanol
CID 117034623
2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene
CID 141285232
4-chloro-3-(2-chloroprop-2-enylsulfanyl)aniline
CID 79133542
4-(2-bromoprop-2-enylsulfanyl)-3-methylaniline
CID 60872244
N-[(2,4-dimethylphenyl)sulfanylmethyl]ethanamine
CID 117032846
1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone
CID 43220232

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene?
The IUPAC name of 1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene (CID 130670153) is 1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene?
The canonical SMILES for 1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene is C=C(Cl)CSc1ccc(C)cc1C.
What is the InChIKey of 1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene?
The InChIKey is PMCYLCQPYSELKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClS/c1-8-4-5-11(9(2)6-8)13-7-10(3)12/h4-6H,3,7H2,1-2H3.
What are the key properties of 1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene?
1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene has a molecular weight of 212.74 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene is sourced from PubChem (CID 130670153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).