(2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone

C13H10Br2OS — CID 107981713

IUPAC(2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone
SMILESCc1cccc(C(=O)c2cc(Br)sc2C)c1Br
InChIInChI=1S/C13H10Br2OS/c1-7-4-3-5-9(12(7)15)13(16)10-6-11(14)17-8(10)2/h3-6H,1-2H3
InChIKeyHNUNPOVJGSTYDO-UHFFFAOYSA-N
MW374.10 g/mol
LogP5.12
Rot. Bonds2

About (2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone

(2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone (PubChem CID 107981713) has the molecular formula C13H10Br2OS and a molecular weight of 374.10 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone
PubChem CID107981713
Molecular FormulaC13H10Br2OS
Molecular Weight374.10 g/mol
Exact Mass371.88
IUPAC Name(2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone
SMILESCc1cccc(C(=O)c2cc(Br)sc2C)c1Br
InChIInChI=1S/C13H10Br2OS/c1-7-4-3-5-9(12(7)15)13(16)10-6-11(14)17-8(10)2/h3-6H,1-2H3
InChIKeyHNUNPOVJGSTYDO-UHFFFAOYSA-N
XLogP5.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.10
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107960074
(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81481188
(2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone
CID 114024133
(2-bromo-3-methylphenyl)-(3-methylphenyl)methanone
CID 107984414
(5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone
CID 107979661
(2-bromo-3-methylphenyl)-isoquinolin-5-ylmethanone
CID 107984477
(2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone
CID 107984562
(2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 107960063
(6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone
CID 107981685
(2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 107981662
2-bromobenzene-1,3-dicarboxylic acid;2-bromo-1,3-dimethylbenzene
CID 167562654
(2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107984617

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone?
The IUPAC name of (2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone (CID 107981713) is (2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone?
The canonical SMILES for (2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone is Cc1cccc(C(=O)c2cc(Br)sc2C)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone?
The InChIKey is HNUNPOVJGSTYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2OS/c1-7-4-3-5-9(12(7)15)13(16)10-6-11(14)17-8(10)2/h3-6H,1-2H3.
What are the key properties of (2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone?
(2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone has a molecular weight of 374.10 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 107981713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).