2-chlorothiophene

C4H3ClS — CID 7299

IUPAC2-chlorothiophene
SMILESClc1cccs1
InChIInChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H
InChIKeyGSFNQBFZFXUTBN-UHFFFAOYSA-N
MW118.59 g/mol
LogP2.40
Rot. Bonds

About 2-chlorothiophene

2-chlorothiophene (PubChem CID 7299) has the molecular formula C4H3ClS and a molecular weight of 118.59 g/mol. Its IUPAC name is 2-chlorothiophene.

Molecular Properties

Compound Name2-chlorothiophene
PubChem CID7299
Molecular FormulaC4H3ClS
Molecular Weight118.59 g/mol
Exact Mass117.96
IUPAC Name2-chlorothiophene
SMILESClc1cccs1
InChIInChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H
InChIKeyGSFNQBFZFXUTBN-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.59
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Dichlorothiophene
CID 18501
3-Chlorothiophene
CID 87017
Thiophene, 2,3,5-trichloro-
CID 123374
Thiophene, 2,3-dichloro-
CID 140207
2-Chloro-3-methylthiophene
CID 84365
4-Bromo-2-chlorothiophene
CID 2724558
3-Bromo-2-chlorothiophene
CID 2724559
2-Chloro-5-iodothiophene
CID 12203264
5-Chlorothiophene-2-thiol
CID 12292865
2-Chloro-3-(chloromethyl)thiophene
CID 18615662
3-Chloro-2-iodo-thiophene
CID 19963271
2,4-Dichlorothiophene
CID 140204

Frequently Asked Questions

What is the IUPAC name of 2-chlorothiophene?
The IUPAC name of 2-chlorothiophene (CID 7299) is 2-chlorothiophene.
What is the SMILES notation for 2-chlorothiophene?
The canonical SMILES for 2-chlorothiophene is Clc1cccs1.
What is the InChIKey of 2-chlorothiophene?
The InChIKey is GSFNQBFZFXUTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H.
What are the key properties of 2-chlorothiophene?
2-chlorothiophene has a molecular weight of 118.59 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorothiophene is sourced from PubChem (CID 7299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).