2-chloro-5-ethynylthiophene

C6H3ClS — CID 15597422

IUPAC2-chloro-5-ethynylthiophene
SMILESC#Cc1ccc(Cl)s1
InChIInChI=1S/C6H3ClS/c1-2-5-3-4-6(7)8-5/h1,3-4H
InChIKeySDVHVQQEXLEHGZ-UHFFFAOYSA-N
MW142.61 g/mol
LogP2.38
Rot. Bonds

About 2-chloro-5-ethynylthiophene

2-chloro-5-ethynylthiophene (PubChem CID 15597422) has the molecular formula C6H3ClS and a molecular weight of 142.61 g/mol. Its IUPAC name is 2-chloro-5-ethynylthiophene.

Molecular Properties

Compound Name2-chloro-5-ethynylthiophene
PubChem CID15597422
Molecular FormulaC6H3ClS
Molecular Weight142.61 g/mol
Exact Mass141.96
IUPAC Name2-chloro-5-ethynylthiophene
SMILESC#Cc1ccc(Cl)s1
InChIInChI=1S/C6H3ClS/c1-2-5-3-4-6(7)8-5/h1,3-4H
InChIKeySDVHVQQEXLEHGZ-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.61
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethynylthiophene?
The IUPAC name of 2-chloro-5-ethynylthiophene (CID 15597422) is 2-chloro-5-ethynylthiophene.
What is the SMILES notation for 2-chloro-5-ethynylthiophene?
The canonical SMILES for 2-chloro-5-ethynylthiophene is C#Cc1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-ethynylthiophene?
The InChIKey is SDVHVQQEXLEHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClS/c1-2-5-3-4-6(7)8-5/h1,3-4H.
What are the key properties of 2-chloro-5-ethynylthiophene?
2-chloro-5-ethynylthiophene has a molecular weight of 142.61 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethynylthiophene is sourced from PubChem (CID 15597422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).