2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one

C7H6Cl2OS — CID 18409467

IUPAC2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESCC(Cl)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C7H6Cl2OS/c1-4(8)7(10)5-2-3-6(9)11-5/h2-4H,1H3
InChIKeyRAMGXZHZPXADNH-UHFFFAOYSA-N
MW209.10 g/mol
LogP3.21
Rot. Bonds2

About 2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one

2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one (PubChem CID 18409467) has the molecular formula C7H6Cl2OS and a molecular weight of 209.10 g/mol. Its IUPAC name is 2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
PubChem CID18409467
Molecular FormulaC7H6Cl2OS
Molecular Weight209.10 g/mol
Exact Mass207.95
IUPAC Name2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESCC(Cl)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C7H6Cl2OS/c1-4(8)7(10)5-2-3-6(9)11-5/h2-4H,1H3
InChIKeyRAMGXZHZPXADNH-UHFFFAOYSA-N
XLogP3.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromothiophen-2-yl)-2-chloropropan-1-one
CID 61103388
1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one
CID 60884100
2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 82117947
2-amino-3-(5-chlorothiophen-2-yl)-3-oxopropanoic acid
CID 116920482
1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one
CID 112510682
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one
CID 43799779
2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43802287
2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43795957
2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one
CID 64644115
1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one
CID 43796847
1-(5-chlorothiophen-2-yl)-2-(3-methylbutoxy)propan-1-one
CID 43798494
ethyl 5-(2-chloropropanoyl)thiophene-2-carboxylate
CID 146010362

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one?
The IUPAC name of 2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one (CID 18409467) is 2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one.
What is the SMILES notation for 2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one?
The canonical SMILES for 2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one is CC(Cl)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one?
The InChIKey is RAMGXZHZPXADNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2OS/c1-4(8)7(10)5-2-3-6(9)11-5/h2-4H,1H3.
What are the key properties of 2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one?
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one has a molecular weight of 209.10 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one is sourced from PubChem (CID 18409467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).