4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene

C11H13ClS — CID 142881124

IUPAC4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene
SMILESCSc1cc(Cl)ccc1C=C(C)C
InChIInChI=1S/C11H13ClS/c1-8(2)6-9-4-5-10(12)7-11(9)13-3/h4-7H,1-3H3
InChIKeyZUHNVUMSFUOWDU-UHFFFAOYSA-N
MW212.75 g/mol
LogP4.49
Rot. Bonds2

About 4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene

4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene (PubChem CID 142881124) has the molecular formula C11H13ClS and a molecular weight of 212.75 g/mol. Its IUPAC name is 4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene.

Molecular Properties

Compound Name4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene
PubChem CID142881124
Molecular FormulaC11H13ClS
Molecular Weight212.75 g/mol
Exact Mass212.04
IUPAC Name4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene
SMILESCSc1cc(Cl)ccc1C=C(C)C
InChIInChI=1S/C11H13ClS/c1-8(2)6-9-4-5-10(12)7-11(9)13-3/h4-7H,1-3H3
InChIKeyZUHNVUMSFUOWDU-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.75
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene 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 4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene?
The IUPAC name of 4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene (CID 142881124) is 4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene.
What is the SMILES notation for 4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene?
The canonical SMILES for 4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene is CSc1cc(Cl)ccc1C=C(C)C.
What is the InChIKey of 4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene?
The InChIKey is ZUHNVUMSFUOWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClS/c1-8(2)6-9-4-5-10(12)7-11(9)13-3/h4-7H,1-3H3.
What are the key properties of 4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene?
4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene has a molecular weight of 212.75 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene is sourced from PubChem (CID 142881124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).