2-(dichloromethyl)thiophene

C5H4Cl2S — CID 582821

IUPAC2-(dichloromethyl)thiophene
SMILESClC(Cl)c1cccs1
InChIInChI=1S/C5H4Cl2S/c6-5(7)4-2-1-3-8-4/h1-3,5H
InChIKeyDRNCSQASKNFBRF-UHFFFAOYSA-N
MW167.06 g/mol
LogP3.22
Rot. Bonds1

About 2-(dichloromethyl)thiophene

2-(dichloromethyl)thiophene (PubChem CID 582821) has the molecular formula C5H4Cl2S and a molecular weight of 167.06 g/mol. Its IUPAC name is 2-(dichloromethyl)thiophene.

Molecular Properties

Compound Name2-(dichloromethyl)thiophene
PubChem CID582821
Molecular FormulaC5H4Cl2S
Molecular Weight167.06 g/mol
Exact Mass165.94
IUPAC Name2-(dichloromethyl)thiophene
SMILESClC(Cl)c1cccs1
InChIInChI=1S/C5H4Cl2S/c6-5(7)4-2-1-3-8-4/h1-3,5H
InChIKeyDRNCSQASKNFBRF-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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-(dichloromethyl)thiophene?
The IUPAC name of 2-(dichloromethyl)thiophene (CID 582821) is 2-(dichloromethyl)thiophene.
What is the SMILES notation for 2-(dichloromethyl)thiophene?
The canonical SMILES for 2-(dichloromethyl)thiophene is ClC(Cl)c1cccs1.
What is the InChIKey of 2-(dichloromethyl)thiophene?
The InChIKey is DRNCSQASKNFBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2S/c6-5(7)4-2-1-3-8-4/h1-3,5H.
What are the key properties of 2-(dichloromethyl)thiophene?
2-(dichloromethyl)thiophene has a molecular weight of 167.06 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)thiophene is sourced from PubChem (CID 582821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).