4-chloro-2-(chloromethyl)thiophene

C5H4Cl2S — CID 57161071

IUPAC4-chloro-2-(chloromethyl)thiophene
SMILESClCc1cc(Cl)cs1
InChIInChI=1S/C5H4Cl2S/c6-2-5-1-4(7)3-8-5/h1,3H,2H2
InChIKeyJDMIRNVFANMJCV-UHFFFAOYSA-N
MW167.06 g/mol
LogP3.14
Rot. Bonds1

About 4-chloro-2-(chloromethyl)thiophene

4-chloro-2-(chloromethyl)thiophene (PubChem CID 57161071) has the molecular formula C5H4Cl2S and a molecular weight of 167.06 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)thiophene.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)thiophene
PubChem CID57161071
Molecular FormulaC5H4Cl2S
Molecular Weight167.06 g/mol
Exact Mass165.94
IUPAC Name4-chloro-2-(chloromethyl)thiophene
SMILESClCc1cc(Cl)cs1
InChIInChI=1S/C5H4Cl2S/c6-2-5-1-4(7)3-8-5/h1,3H,2H2
InChIKeyJDMIRNVFANMJCV-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.06
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(chloromethyl)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 4-chloro-2-(chloromethyl)thiophene?
The IUPAC name of 4-chloro-2-(chloromethyl)thiophene (CID 57161071) is 4-chloro-2-(chloromethyl)thiophene.
What is the SMILES notation for 4-chloro-2-(chloromethyl)thiophene?
The canonical SMILES for 4-chloro-2-(chloromethyl)thiophene is ClCc1cc(Cl)cs1.
What is the InChIKey of 4-chloro-2-(chloromethyl)thiophene?
The InChIKey is JDMIRNVFANMJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2S/c6-2-5-1-4(7)3-8-5/h1,3H,2H2.
What are the key properties of 4-chloro-2-(chloromethyl)thiophene?
4-chloro-2-(chloromethyl)thiophene has a molecular weight of 167.06 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethyl)thiophene is sourced from PubChem (CID 57161071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).