2-(2-chlorophenyl)-2,3-dihydrothiophene

C10H9ClS — CID 11356052

IUPAC2-(2-chlorophenyl)-2,3-dihydrothiophene
SMILESClc1ccccc1C1CC=CS1
InChIInChI=1S/C10H9ClS/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-5,7,10H,6H2
InChIKeyWCGYRTKRAOMYHT-UHFFFAOYSA-N
MW196.70 g/mol
LogP4.03
Rot. Bonds1

About 2-(2-chlorophenyl)-2,3-dihydrothiophene

2-(2-chlorophenyl)-2,3-dihydrothiophene (PubChem CID 11356052) has the molecular formula C10H9ClS and a molecular weight of 196.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2,3-dihydrothiophene
PubChem CID11356052
Molecular FormulaC10H9ClS
Molecular Weight196.70 g/mol
Exact Mass196.01
IUPAC Name2-(2-chlorophenyl)-2,3-dihydrothiophene
SMILESClc1ccccc1C1CC=CS1
InChIInChI=1S/C10H9ClS/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-5,7,10H,6H2
InChIKeyWCGYRTKRAOMYHT-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.70
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2,3-dihydrothiophene?
The IUPAC name of 2-(2-chlorophenyl)-2,3-dihydrothiophene (CID 11356052) is 2-(2-chlorophenyl)-2,3-dihydrothiophene.
What is the SMILES notation for 2-(2-chlorophenyl)-2,3-dihydrothiophene?
The canonical SMILES for 2-(2-chlorophenyl)-2,3-dihydrothiophene is Clc1ccccc1C1CC=CS1.
What is the InChIKey of 2-(2-chlorophenyl)-2,3-dihydrothiophene?
The InChIKey is WCGYRTKRAOMYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClS/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-5,7,10H,6H2.
What are the key properties of 2-(2-chlorophenyl)-2,3-dihydrothiophene?
2-(2-chlorophenyl)-2,3-dihydrothiophene has a molecular weight of 196.70 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2,3-dihydrothiophene is sourced from PubChem (CID 11356052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).