3-(2-chlorophenyl)-2-methylthiophene

C11H9ClS — CID 18933115

IUPAC3-(2-chlorophenyl)-2-methylthiophene
SMILESCc1sccc1-c1ccccc1Cl
InChIInChI=1S/C11H9ClS/c1-8-9(6-7-13-8)10-4-2-3-5-11(10)12/h2-7H,1H3
InChIKeyWQAMGXPYWUUJTP-UHFFFAOYSA-N
MW208.71 g/mol
LogP4.38
Rot. Bonds1

About 3-(2-chlorophenyl)-2-methylthiophene

3-(2-chlorophenyl)-2-methylthiophene (PubChem CID 18933115) has the molecular formula C11H9ClS and a molecular weight of 208.71 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-methylthiophene.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-methylthiophene
PubChem CID18933115
Molecular FormulaC11H9ClS
Molecular Weight208.71 g/mol
Exact Mass208.01
IUPAC Name3-(2-chlorophenyl)-2-methylthiophene
SMILESCc1sccc1-c1ccccc1Cl
InChIInChI=1S/C11H9ClS/c1-8-9(6-7-13-8)10-4-2-3-5-11(10)12/h2-7H,1H3
InChIKeyWQAMGXPYWUUJTP-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.71
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-methylthiophene?
The IUPAC name of 3-(2-chlorophenyl)-2-methylthiophene (CID 18933115) is 3-(2-chlorophenyl)-2-methylthiophene.
What is the SMILES notation for 3-(2-chlorophenyl)-2-methylthiophene?
The canonical SMILES for 3-(2-chlorophenyl)-2-methylthiophene is Cc1sccc1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-2-methylthiophene?
The InChIKey is WQAMGXPYWUUJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClS/c1-8-9(6-7-13-8)10-4-2-3-5-11(10)12/h2-7H,1H3.
What are the key properties of 3-(2-chlorophenyl)-2-methylthiophene?
3-(2-chlorophenyl)-2-methylthiophene has a molecular weight of 208.71 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-methylthiophene is sourced from PubChem (CID 18933115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).