2-chloro-4-phenylthiophene

C10H7ClS — CID 10921429

IUPAC2-chloro-4-phenylthiophene
SMILESClc1cc(-c2ccccc2)cs1
InChIInChI=1S/C10H7ClS/c11-10-6-9(7-12-10)8-4-2-1-3-5-8/h1-7H
InChIKeyUDINQKKHDFSHIY-UHFFFAOYSA-N
MW194.69 g/mol
LogP4.07
Rot. Bonds1

About 2-chloro-4-phenylthiophene

2-chloro-4-phenylthiophene (PubChem CID 10921429) has the molecular formula C10H7ClS and a molecular weight of 194.69 g/mol. Its IUPAC name is 2-chloro-4-phenylthiophene.

Molecular Properties

Compound Name2-chloro-4-phenylthiophene
PubChem CID10921429
Molecular FormulaC10H7ClS
Molecular Weight194.69 g/mol
Exact Mass194.00
IUPAC Name2-chloro-4-phenylthiophene
SMILESClc1cc(-c2ccccc2)cs1
InChIInChI=1S/C10H7ClS/c11-10-6-9(7-12-10)8-4-2-1-3-5-8/h1-7H
InChIKeyUDINQKKHDFSHIY-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.69
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenylthiophene?
The IUPAC name of 2-chloro-4-phenylthiophene (CID 10921429) is 2-chloro-4-phenylthiophene.
What is the SMILES notation for 2-chloro-4-phenylthiophene?
The canonical SMILES for 2-chloro-4-phenylthiophene is Clc1cc(-c2ccccc2)cs1.
What is the InChIKey of 2-chloro-4-phenylthiophene?
The InChIKey is UDINQKKHDFSHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClS/c11-10-6-9(7-12-10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-chloro-4-phenylthiophene?
2-chloro-4-phenylthiophene has a molecular weight of 194.69 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenylthiophene is sourced from PubChem (CID 10921429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).