2-(2-chloroethyl)thiophene

C6H7ClS — CID 11412456

IUPAC2-(2-chloroethyl)thiophene
SMILESClCCc1cccs1
InChIInChI=1S/C6H7ClS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4H2
InChIKeyFMOIXKQKOWLYEK-UHFFFAOYSA-N
MW146.64 g/mol
LogP2.53
Rot. Bonds2

About 2-(2-chloroethyl)thiophene

2-(2-chloroethyl)thiophene (PubChem CID 11412456) has the molecular formula C6H7ClS and a molecular weight of 146.64 g/mol. Its IUPAC name is 2-(2-chloroethyl)thiophene.

Molecular Properties

Compound Name2-(2-chloroethyl)thiophene
PubChem CID11412456
Molecular FormulaC6H7ClS
Molecular Weight146.64 g/mol
Exact Mass146.00
IUPAC Name2-(2-chloroethyl)thiophene
SMILESClCCc1cccs1
InChIInChI=1S/C6H7ClS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4H2
InChIKeyFMOIXKQKOWLYEK-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.64
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(2-chloroethyl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)thiophene?
The IUPAC name of 2-(2-chloroethyl)thiophene (CID 11412456) is 2-(2-chloroethyl)thiophene.
What is the SMILES notation for 2-(2-chloroethyl)thiophene?
The canonical SMILES for 2-(2-chloroethyl)thiophene is ClCCc1cccs1.
What is the InChIKey of 2-(2-chloroethyl)thiophene?
The InChIKey is FMOIXKQKOWLYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4H2.
What are the key properties of 2-(2-chloroethyl)thiophene?
2-(2-chloroethyl)thiophene has a molecular weight of 146.64 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)thiophene is sourced from PubChem (CID 11412456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).