1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone

C12H8BrClO2S2 — CID 64636279

IUPAC1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone
SMILESO=C(CS(=O)c1ccc(Cl)cc1)c1sccc1Br
InChIInChI=1S/C12H8BrClO2S2/c13-10-5-6-17-12(10)11(15)7-18(16)9-3-1-8(14)2-4-9/h1-6H,7H2
InChIKeyZCDLNWZLFSUJKZ-UHFFFAOYSA-N
MW363.69 g/mol
LogP4.15
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone

1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone (PubChem CID 64636279) has the molecular formula C12H8BrClO2S2 and a molecular weight of 363.69 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone
PubChem CID64636279
Molecular FormulaC12H8BrClO2S2
Molecular Weight363.69 g/mol
Exact Mass361.88
IUPAC Name1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone
SMILESO=C(CS(=O)c1ccc(Cl)cc1)c1sccc1Br
InChIInChI=1S/C12H8BrClO2S2/c13-10-5-6-17-12(10)11(15)7-18(16)9-3-1-8(14)2-4-9/h1-6H,7H2
InChIKeyZCDLNWZLFSUJKZ-UHFFFAOYSA-N
XLogP4.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.69
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone
CID 64638480
2-[(S)-(4-chlorophenyl)sulfinyl]acetic acid
CID 13092891
1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637812
3-bromothiophene-2-carbonyl chloride
CID 2797569
2-(4-bromophenyl)sulfinyl-1-(2,5-dichlorophenyl)ethanone
CID 64641310
2-[2-(3-bromothiophen-2-yl)-2-oxoethyl]sulfinyl-N-propylacetamide
CID 114233015
2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone
CID 1483853
N-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61301611
2-[2-(3-bromothiophen-2-yl)-2-oxoethoxy]-4-chlorobenzonitrile
CID 114323779
1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-6-chloroindole-2,3-dione
CID 62023850
2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone
CID 64640094
(3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 60790381

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone (CID 64636279) is 1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone is O=C(CS(=O)c1ccc(Cl)cc1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone?
The InChIKey is ZCDLNWZLFSUJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClO2S2/c13-10-5-6-17-12(10)11(15)7-18(16)9-3-1-8(14)2-4-9/h1-6H,7H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone?
1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone has a molecular weight of 363.69 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone is sourced from PubChem (CID 64636279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).