1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone

C13H10Br2OS — CID 114962510

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone
SMILESCc1cc(C(=O)Cc2ccccc2Br)sc1Br
InChIInChI=1S/C13H10Br2OS/c1-8-6-12(17-13(8)15)11(16)7-9-4-2-3-5-10(9)14/h2-6H,7H2,1H3
InChIKeyOVWHXYAIHCFVSC-UHFFFAOYSA-N
MW374.10 g/mol
LogP5.01
Rot. Bonds3

About 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone

1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone (PubChem CID 114962510) has the molecular formula C13H10Br2OS and a molecular weight of 374.10 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone
PubChem CID114962510
Molecular FormulaC13H10Br2OS
Molecular Weight374.10 g/mol
Exact Mass371.88
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone
SMILESCc1cc(C(=O)Cc2ccccc2Br)sc1Br
InChIInChI=1S/C13H10Br2OS/c1-8-6-12(17-13(8)15)11(16)7-9-4-2-3-5-10(9)14/h2-6H,7H2,1H3
InChIKeyOVWHXYAIHCFVSC-UHFFFAOYSA-N
XLogP5.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.10
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-methylphenyl)ethanone
CID 80531701
1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone
CID 79989868
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 79989856
2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone
CID 79997206
1-(5-bromo-4-methylthiophen-2-yl)-2-ethoxyethanone
CID 115782885
N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 60630938
4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 79996886
2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethanone
CID 79992159
4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 78906851
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanone
CID 102826498
2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid
CID 81313381
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone
CID 43344934

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone (CID 114962510) is 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone is Cc1cc(C(=O)Cc2ccccc2Br)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone?
The InChIKey is OVWHXYAIHCFVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2OS/c1-8-6-12(17-13(8)15)11(16)7-9-4-2-3-5-10(9)14/h2-6H,7H2,1H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone?
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone has a molecular weight of 374.10 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone is sourced from PubChem (CID 114962510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).