2,3-dibromo-5-(4-ethylphenyl)thiophene

C12H10Br2S — CID 44632438

IUPAC2,3-dibromo-5-(4-ethylphenyl)thiophene
SMILESCCc1ccc(-c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C12H10Br2S/c1-2-8-3-5-9(6-4-8)11-7-10(13)12(14)15-11/h3-7H,2H2,1H3
InChIKeyHWBHFYYASIBWAZ-UHFFFAOYSA-N
MW346.09 g/mol
LogP5.50
Rot. Bonds2

About 2,3-dibromo-5-(4-ethylphenyl)thiophene

2,3-dibromo-5-(4-ethylphenyl)thiophene (PubChem CID 44632438) has the molecular formula C12H10Br2S and a molecular weight of 346.09 g/mol. Its IUPAC name is 2,3-dibromo-5-(4-ethylphenyl)thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-(4-ethylphenyl)thiophene
PubChem CID44632438
Molecular FormulaC12H10Br2S
Molecular Weight346.09 g/mol
Exact Mass343.89
IUPAC Name2,3-dibromo-5-(4-ethylphenyl)thiophene
SMILESCCc1ccc(-c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C12H10Br2S/c1-2-8-3-5-9(6-4-8)11-7-10(13)12(14)15-11/h3-7H,2H2,1H3
InChIKeyHWBHFYYASIBWAZ-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.09
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3-dibromo-5-(4-ethylphenyl)thiophene 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

2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene
CID 139942065
2-(4-ethylphenyl)-5-[5-[5-[5-[5-[5-(4-ethylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 139982263
2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene
CID 53441536
1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone
CID 114963430
(4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol
CID 80535254
1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 80532956
3-bromo-2-methyl-5-(4-methylphenyl)thiophene
CID 101058493
4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide
CID 18291485
4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride
CID 42614722
5-bromo-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 82134771
CID 11572331
CID 11572331
1-bromo-4-ethylbenzene
CID 15313

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-(4-ethylphenyl)thiophene?
The IUPAC name of 2,3-dibromo-5-(4-ethylphenyl)thiophene (CID 44632438) is 2,3-dibromo-5-(4-ethylphenyl)thiophene.
What is the SMILES notation for 2,3-dibromo-5-(4-ethylphenyl)thiophene?
The canonical SMILES for 2,3-dibromo-5-(4-ethylphenyl)thiophene is CCc1ccc(-c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of 2,3-dibromo-5-(4-ethylphenyl)thiophene?
The InChIKey is HWBHFYYASIBWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2S/c1-2-8-3-5-9(6-4-8)11-7-10(13)12(14)15-11/h3-7H,2H2,1H3.
What are the key properties of 2,3-dibromo-5-(4-ethylphenyl)thiophene?
2,3-dibromo-5-(4-ethylphenyl)thiophene has a molecular weight of 346.09 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-(4-ethylphenyl)thiophene is sourced from PubChem (CID 44632438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).