2-benzyl-5-chlorothiophene

C11H9ClS — CID 14043781

IUPAC2-benzyl-5-chlorothiophene
SMILESClc1ccc(Cc2ccccc2)s1
InChIInChI=1S/C11H9ClS/c12-11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeySPMBPBBRNRCRMQ-UHFFFAOYSA-N
MW208.71 g/mol
LogP3.99
Rot. Bonds2

About 2-benzyl-5-chlorothiophene

2-benzyl-5-chlorothiophene (PubChem CID 14043781) has the molecular formula C11H9ClS and a molecular weight of 208.71 g/mol. Its IUPAC name is 2-benzyl-5-chlorothiophene.

Molecular Properties

Compound Name2-benzyl-5-chlorothiophene
PubChem CID14043781
Molecular FormulaC11H9ClS
Molecular Weight208.71 g/mol
Exact Mass208.01
IUPAC Name2-benzyl-5-chlorothiophene
SMILESClc1ccc(Cc2ccccc2)s1
InChIInChI=1S/C11H9ClS/c12-11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeySPMBPBBRNRCRMQ-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.71
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-chlorothiophene?
The IUPAC name of 2-benzyl-5-chlorothiophene (CID 14043781) is 2-benzyl-5-chlorothiophene.
What is the SMILES notation for 2-benzyl-5-chlorothiophene?
The canonical SMILES for 2-benzyl-5-chlorothiophene is Clc1ccc(Cc2ccccc2)s1.
What is the InChIKey of 2-benzyl-5-chlorothiophene?
The InChIKey is SPMBPBBRNRCRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClS/c12-11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-benzyl-5-chlorothiophene?
2-benzyl-5-chlorothiophene has a molecular weight of 208.71 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-chlorothiophene is sourced from PubChem (CID 14043781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).