2-chloro-5-(chloromethyl)thiophene

C5H4Cl2S — CID 583079

IUPAC2-chloro-5-(chloromethyl)thiophene
SMILESClCc1ccc(Cl)s1
InChIInChI=1S/C5H4Cl2S/c6-3-4-1-2-5(7)8-4/h1-2H,3H2
InChIKeyMQTKXCOGYOYAMW-UHFFFAOYSA-N
MW167.06 g/mol
LogP3.14
Rot. Bonds1

About 2-chloro-5-(chloromethyl)thiophene

2-chloro-5-(chloromethyl)thiophene (PubChem CID 583079) has the molecular formula C5H4Cl2S and a molecular weight of 167.06 g/mol. Its IUPAC name is 2-chloro-5-(chloromethyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(chloromethyl)thiophene
PubChem CID583079
Molecular FormulaC5H4Cl2S
Molecular Weight167.06 g/mol
Exact Mass165.94
IUPAC Name2-chloro-5-(chloromethyl)thiophene
SMILESClCc1ccc(Cl)s1
InChIInChI=1S/C5H4Cl2S/c6-3-4-1-2-5(7)8-4/h1-2H,3H2
InChIKeyMQTKXCOGYOYAMW-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(chloromethyl)thiophene?
The IUPAC name of 2-chloro-5-(chloromethyl)thiophene (CID 583079) is 2-chloro-5-(chloromethyl)thiophene.
What is the SMILES notation for 2-chloro-5-(chloromethyl)thiophene?
The canonical SMILES for 2-chloro-5-(chloromethyl)thiophene is ClCc1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-(chloromethyl)thiophene?
The InChIKey is MQTKXCOGYOYAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2S/c6-3-4-1-2-5(7)8-4/h1-2H,3H2.
What are the key properties of 2-chloro-5-(chloromethyl)thiophene?
2-chloro-5-(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 2-chloro-5-(chloromethyl)thiophene is sourced from PubChem (CID 583079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).