7-chloro-1-benzothiophene

C8H5ClS — CID 11062812

IUPAC7-chloro-1-benzothiophene
SMILESClc1cccc2ccsc12
InChIInChI=1S/C8H5ClS/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H
InChIKeyGKWIITWUDNYXMG-UHFFFAOYSA-N
MW168.65 g/mol
LogP3.55
Rot. Bonds

About 7-chloro-1-benzothiophene

7-chloro-1-benzothiophene (PubChem CID 11062812) has the molecular formula C8H5ClS and a molecular weight of 168.65 g/mol. Its IUPAC name is 7-chloro-1-benzothiophene.

Molecular Properties

Compound Name7-chloro-1-benzothiophene
PubChem CID11062812
Molecular FormulaC8H5ClS
Molecular Weight168.65 g/mol
Exact Mass167.98
IUPAC Name7-chloro-1-benzothiophene
SMILESClc1cccc2ccsc12
InChIInChI=1S/C8H5ClS/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H
InChIKeyGKWIITWUDNYXMG-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.65
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-benzothiophene?
The IUPAC name of 7-chloro-1-benzothiophene (CID 11062812) is 7-chloro-1-benzothiophene.
What is the SMILES notation for 7-chloro-1-benzothiophene?
The canonical SMILES for 7-chloro-1-benzothiophene is Clc1cccc2ccsc12.
What is the InChIKey of 7-chloro-1-benzothiophene?
The InChIKey is GKWIITWUDNYXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClS/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H.
What are the key properties of 7-chloro-1-benzothiophene?
7-chloro-1-benzothiophene has a molecular weight of 168.65 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-benzothiophene is sourced from PubChem (CID 11062812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).