(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone

C11H8Br2OS2 — CID 81155980

IUPAC(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(Br)c(Br)s2)s1
InChIInChI=1S/C11H8Br2OS2/c1-5-3-6(2)15-10(5)9(14)8-4-7(12)11(13)16-8/h3-4H,1-2H3
InChIKeyXZSOMGGLGHAVNT-UHFFFAOYSA-N
MW380.13 g/mol
LogP5.18
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone

(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone (PubChem CID 81155980) has the molecular formula C11H8Br2OS2 and a molecular weight of 380.13 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone
PubChem CID81155980
Molecular FormulaC11H8Br2OS2
Molecular Weight380.13 g/mol
Exact Mass377.84
IUPAC Name(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(Br)c(Br)s2)s1
InChIInChI=1S/C11H8Br2OS2/c1-5-3-6(2)15-10(5)9(14)8-4-7(12)11(13)16-8/h3-4H,1-2H3
InChIKeyXZSOMGGLGHAVNT-UHFFFAOYSA-N
XLogP5.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.13
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-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

(3-bromo-4-chlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 107998381
(4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81156986
(4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 80532415
4,5-dibromothiophene-2-carbonyl bromide
CID 15753564
3,5-dimethylthiophene-2-carboxylic acid
CID 819558
(2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 13113637
lithium 4,5-dibromothiophene-2-carboxylate
CID 19205739
4-(4,5-dibromothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
CID 80536271
(4,5-dibromothiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 80532450
2-bromo-1-(4,5-dibromothiophen-2-yl)propan-1-one
CID 80532508
(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone
CID 80536800
(3,5-dimethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
CID 81155979

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone (CID 81155980) is (4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone is Cc1cc(C)c(C(=O)c2cc(Br)c(Br)s2)s1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone?
The InChIKey is XZSOMGGLGHAVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2OS2/c1-5-3-6(2)15-10(5)9(14)8-4-7(12)11(13)16-8/h3-4H,1-2H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone?
(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone has a molecular weight of 380.13 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone is sourced from PubChem (CID 81155980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).