(5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone

C12H7Br3OS — CID 107979661

IUPAC(5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone
SMILESCc1sc(Br)cc1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H7Br3OS/c1-6-10(5-11(15)17-6)12(16)7-2-8(13)4-9(14)3-7/h2-5H,1H3
InChIKeyQOVKLOFAMFANGT-UHFFFAOYSA-N
MW438.97 g/mol
LogP5.58
Rot. Bonds2

About (5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone

(5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone (PubChem CID 107979661) has the molecular formula C12H7Br3OS and a molecular weight of 438.97 g/mol. Its IUPAC name is (5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone
PubChem CID107979661
Molecular FormulaC12H7Br3OS
Molecular Weight438.97 g/mol
Exact Mass435.78
IUPAC Name(5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone
SMILESCc1sc(Br)cc1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H7Br3OS/c1-6-10(5-11(15)17-6)12(16)7-2-8(13)4-9(14)3-7/h2-5H,1H3
InChIKeyQOVKLOFAMFANGT-UHFFFAOYSA-N
XLogP5.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.97
LogP ≤ 55.58
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-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone
CID 107981713
(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107979582
(3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161427
(4-bromo-2,5-dimethylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107960045
(4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone
CID 107981120
(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107976766
(3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 114019744
(5-bromo-2-methylthiophen-3-yl)-(1-methylcyclohexyl)methanone
CID 106826637
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone
CID 107977574
(4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 81291094
(5-tert-butylthiophen-2-yl)-(3,5-dibromophenyl)methanone
CID 114023494

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone?
The IUPAC name of (5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone (CID 107979661) is (5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone.
What is the SMILES notation for (5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone?
The canonical SMILES for (5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone is Cc1sc(Br)cc1C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of (5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone?
The InChIKey is QOVKLOFAMFANGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br3OS/c1-6-10(5-11(15)17-6)12(16)7-2-8(13)4-9(14)3-7/h2-5H,1H3.
What are the key properties of (5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone?
(5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone has a molecular weight of 438.97 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone is sourced from PubChem (CID 107979661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).