2-(5-chlorothiophen-3-yl)-1-thiophen-3-ylethanone

C10H7ClOS2 — CID 131107772

IUPAC2-(5-chlorothiophen-3-yl)-1-thiophen-3-ylethanone
SMILESO=C(Cc1csc(Cl)c1)c1ccsc1
InChIInChI=1S/C10H7ClOS2/c11-10-4-7(5-14-10)3-9(12)8-1-2-13-6-8/h1-2,4-6H,3H2
InChIKeyMMVIOIFJRDYUGA-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.89
Rot. Bonds3

About 2-(5-chlorothiophen-3-yl)-1-thiophen-3-ylethanone

2-(5-chlorothiophen-3-yl)-1-thiophen-3-ylethanone (PubChem CID 131107772) has the molecular formula C10H7ClOS2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-(5-chlorothiophen-3-yl)-1-thiophen-3-ylethanone.

Molecular Properties

Compound Name2-(5-chlorothiophen-3-yl)-1-thiophen-3-ylethanone
PubChem CID131107772
Molecular FormulaC10H7ClOS2
Molecular Weight242.75 g/mol
Exact Mass241.96
IUPAC Name2-(5-chlorothiophen-3-yl)-1-thiophen-3-ylethanone
SMILESO=C(Cc1csc(Cl)c1)c1ccsc1
InChIInChI=1S/C10H7ClOS2/c11-10-4-7(5-14-10)3-9(12)8-1-2-13-6-8/h1-2,4-6H,3H2
InChIKeyMMVIOIFJRDYUGA-UHFFFAOYSA-N
XLogP3.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone
CID 130767597
1-amino-3-(5-chlorothiophen-3-yl)propan-2-one
CID 130995491
2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone
CID 62622434
1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone
CID 116581909
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanone
CID 63093497
2-(2-fluorophenyl)-1-thiophen-3-ylethanone
CID 60799392
2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone
CID 105373155
1-thiophen-3-ylbut-3-yn-1-one
CID 62234411
1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone
CID 61053848
2-(2-oxo-2-thiophen-3-ylethyl)propanedioic acid
CID 6611424
3-(chloromethyl)-1-thiophen-3-ylbut-3-en-1-one
CID 10081525
2-(5-chlorothiophen-3-yl)-1-piperidin-4-ylethanone
CID 131071025

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-3-yl)-1-thiophen-3-ylethanone?
The IUPAC name of 2-(5-chlorothiophen-3-yl)-1-thiophen-3-ylethanone (CID 131107772) is 2-(5-chlorothiophen-3-yl)-1-thiophen-3-ylethanone.
What is the SMILES notation for 2-(5-chlorothiophen-3-yl)-1-thiophen-3-ylethanone?
The canonical SMILES for 2-(5-chlorothiophen-3-yl)-1-thiophen-3-ylethanone is O=C(Cc1csc(Cl)c1)c1ccsc1.
What is the InChIKey of 2-(5-chlorothiophen-3-yl)-1-thiophen-3-ylethanone?
The InChIKey is MMVIOIFJRDYUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClOS2/c11-10-4-7(5-14-10)3-9(12)8-1-2-13-6-8/h1-2,4-6H,3H2.
What are the key properties of 2-(5-chlorothiophen-3-yl)-1-thiophen-3-ylethanone?
2-(5-chlorothiophen-3-yl)-1-thiophen-3-ylethanone has a molecular weight of 242.75 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-3-yl)-1-thiophen-3-ylethanone is sourced from PubChem (CID 131107772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).