(3-bromophenyl)-(4-bromothiophen-3-yl)methanone

C11H6Br2OS — CID 10831406

IUPAC(3-bromophenyl)-(4-bromothiophen-3-yl)methanone
SMILESO=C(c1cccc(Br)c1)c1cscc1Br
InChIInChI=1S/C11H6Br2OS/c12-8-3-1-2-7(4-8)11(14)9-5-15-6-10(9)13/h1-6H
InChIKeyCPDXZSNRHCMYAU-UHFFFAOYSA-N
MW346.04 g/mol
LogP4.50
Rot. Bonds2

About (3-bromophenyl)-(4-bromothiophen-3-yl)methanone

(3-bromophenyl)-(4-bromothiophen-3-yl)methanone (PubChem CID 10831406) has the molecular formula C11H6Br2OS and a molecular weight of 346.04 g/mol. Its IUPAC name is (3-bromophenyl)-(4-bromothiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(4-bromothiophen-3-yl)methanone
PubChem CID10831406
Molecular FormulaC11H6Br2OS
Molecular Weight346.04 g/mol
Exact Mass343.85
IUPAC Name(3-bromophenyl)-(4-bromothiophen-3-yl)methanone
SMILESO=C(c1cccc(Br)c1)c1cscc1Br
InChIInChI=1S/C11H6Br2OS/c12-8-3-1-2-7(4-8)11(14)9-5-15-6-10(9)13/h1-6H
InChIKeyCPDXZSNRHCMYAU-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.04
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-bromophenyl)-(4-bromothiophen-3-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

(6-bromonaphthalen-2-yl)-(4-bromothiophen-3-yl)methanone
CID 115784083
(4-bromothiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 79595938
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone
CID 82808642
(4-bromothiophen-3-yl)-(4-iodophenyl)methanone
CID 115784171
(3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 81467352
(4-bromothiophen-3-yl)-(3-chloro-4-fluorophenyl)methanone
CID 79596049
(3-bromophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830603
[2-(bromomethyl)phenyl]-(3-bromophenyl)methanone
CID 67346438
(4-bromothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 115784148
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
(3-bromophenyl)-thiophen-2-ylmethanone
CID 5305254
(3-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 146005798

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(4-bromothiophen-3-yl)methanone?
The IUPAC name of (3-bromophenyl)-(4-bromothiophen-3-yl)methanone (CID 10831406) is (3-bromophenyl)-(4-bromothiophen-3-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(4-bromothiophen-3-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(4-bromothiophen-3-yl)methanone is O=C(c1cccc(Br)c1)c1cscc1Br.
What is the InChIKey of (3-bromophenyl)-(4-bromothiophen-3-yl)methanone?
The InChIKey is CPDXZSNRHCMYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2OS/c12-8-3-1-2-7(4-8)11(14)9-5-15-6-10(9)13/h1-6H.
What are the key properties of (3-bromophenyl)-(4-bromothiophen-3-yl)methanone?
(3-bromophenyl)-(4-bromothiophen-3-yl)methanone has a molecular weight of 346.04 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(4-bromothiophen-3-yl)methanone is sourced from PubChem (CID 10831406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).