(3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone

C12H7BrCl2OS — CID 65279480

IUPAC(3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone
SMILESCc1cc(Br)c(C(=O)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C12H7BrCl2OS/c1-6-4-8(13)12(17-6)11(16)7-2-3-9(14)10(15)5-7/h2-5H,1H3
InChIKeyMWKZXZCUHPEROS-UHFFFAOYSA-N
MW350.06 g/mol
LogP5.36
Rot. Bonds2

About (3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone

(3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone (PubChem CID 65279480) has the molecular formula C12H7BrCl2OS and a molecular weight of 350.06 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone
PubChem CID65279480
Molecular FormulaC12H7BrCl2OS
Molecular Weight350.06 g/mol
Exact Mass347.88
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone
SMILESCc1cc(Br)c(C(=O)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C12H7BrCl2OS/c1-6-4-8(13)12(17-6)11(16)7-2-3-9(14)10(15)5-7/h2-5H,1H3
InChIKeyMWKZXZCUHPEROS-UHFFFAOYSA-N
XLogP5.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.06
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-chlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 107998381
(3-bromo-4-fluorophenyl)-(3-bromo-5-methylthiophen-2-yl)methanone
CID 107949916
(4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 81291094
(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanone
CID 65279107
(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 82875204
(3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone
CID 65279746
(3,4-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 2758091
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
(4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone
CID 102826674
(3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone
CID 115566211
(5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone
CID 2767305

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone (CID 65279480) is (3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone is Cc1cc(Br)c(C(=O)c2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone?
The InChIKey is MWKZXZCUHPEROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2OS/c1-6-4-8(13)12(17-6)11(16)7-2-3-9(14)10(15)5-7/h2-5H,1H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone?
(3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone has a molecular weight of 350.06 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 65279480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).