(4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone

C13H10Br2OS — CID 102826520

IUPAC(4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2cc(Br)c(C)s2)ccc1Br
InChIInChI=1S/C13H10Br2OS/c1-7-5-9(3-4-10(7)14)13(16)12-6-11(15)8(2)17-12/h3-6H,1-2H3
InChIKeyNMFOSAMBYKBVIX-UHFFFAOYSA-N
MW374.10 g/mol
LogP5.12
Rot. Bonds2

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

(4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone (PubChem CID 102826520) has the molecular formula C13H10Br2OS and a molecular weight of 374.10 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone
PubChem CID102826520
Molecular FormulaC13H10Br2OS
Molecular Weight374.10 g/mol
Exact Mass371.88
IUPAC Name(4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2cc(Br)c(C)s2)ccc1Br
InChIInChI=1S/C13H10Br2OS/c1-7-5-9(3-4-10(7)14)13(16)12-6-11(15)8(2)17-12/h3-6H,1-2H3
InChIKeyNMFOSAMBYKBVIX-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

Analyze (4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone
CID 102826674
(4-bromo-5-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 102826619
(4-bromo-5-methylthiophen-2-yl)-(3-iodophenyl)methanone
CID 102826651
(4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone
CID 102826466
(5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 130770138
(4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102840024
(4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone
CID 102826512
(4-bromo-3-methylphenyl)-thiophen-3-ylmethanone
CID 54181857
(4-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanone
CID 113396668
(4-bromo-3-methylphenyl)-pyrimidin-5-ylmethanone
CID 114965823
(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone
CID 102826513
(4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone
CID 102826534

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone?
The IUPAC name of (4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone (CID 102826520) is (4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone?
The canonical SMILES for (4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone is Cc1cc(C(=O)c2cc(Br)c(C)s2)ccc1Br.
What is the InChIKey of (4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone?
The InChIKey is NMFOSAMBYKBVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2OS/c1-7-5-9(3-4-10(7)14)13(16)12-6-11(15)8(2)17-12/h3-6H,1-2H3.
What are the key properties of (4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone?
(4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-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 (4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 102826520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).