2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone

C12H8BrClOS2 — CID 43231185

IUPAC2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(CSc1ccccc1Br)c1ccc(Cl)s1
InChIInChI=1S/C12H8BrClOS2/c13-8-3-1-2-4-10(8)16-7-9(15)11-5-6-12(14)17-11/h1-6H,7H2
InChIKeyIWDHOSBOIADDAD-UHFFFAOYSA-N
MW347.69 g/mol
LogP5.14
Rot. Bonds4

About 2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone

2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone (PubChem CID 43231185) has the molecular formula C12H8BrClOS2 and a molecular weight of 347.69 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone
PubChem CID43231185
Molecular FormulaC12H8BrClOS2
Molecular Weight347.69 g/mol
Exact Mass345.89
IUPAC Name2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(CSc1ccccc1Br)c1ccc(Cl)s1
InChIInChI=1S/C12H8BrClOS2/c13-8-3-1-2-4-10(8)16-7-9(15)11-5-6-12(14)17-11/h1-6H,7H2
InChIKeyIWDHOSBOIADDAD-UHFFFAOYSA-N
XLogP5.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.69
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone
CID 43413346
2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone
CID 43231190
1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone
CID 43414112
2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(5-chlorothiophen-2-yl)ethanone
CID 2547972
2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone
CID 43654841
1-(2-bromophenyl)sulfanyl-3-(2,6-dichlorophenyl)propan-2-one
CID 66143656
1-(5-chlorothiophen-2-yl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone
CID 6492513
2-(2-bromophenyl)sulfanyl-1-(1-methylpyrrol-2-yl)ethanone
CID 43231205
2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone
CID 66144047
2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 2624336
2-(2-bromophenyl)sulfanyl-1-(5-chloro-1-benzofuran-2-yl)ethanone
CID 115574602
methyl 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanylacetate
CID 43414169

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone (CID 43231185) is 2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone is O=C(CSc1ccccc1Br)c1ccc(Cl)s1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone?
The InChIKey is IWDHOSBOIADDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClOS2/c13-8-3-1-2-4-10(8)16-7-9(15)11-5-6-12(14)17-11/h1-6H,7H2.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone?
2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone has a molecular weight of 347.69 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 43231185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).