2-(3-bromo-2,5-dimethylphenyl)thiophene

C12H11BrS — CID 172709193

IUPAC2-(3-bromo-2,5-dimethylphenyl)thiophene
SMILESCc1cc(Br)c(C)c(-c2cccs2)c1
InChIInChI=1S/C12H11BrS/c1-8-6-10(9(2)11(13)7-8)12-4-3-5-14-12/h3-7H,1-2H3
InChIKeyDZZQUTXDHJDJEF-UHFFFAOYSA-N
MW267.19 g/mol
LogP4.79
Rot. Bonds1

About 2-(3-bromo-2,5-dimethylphenyl)thiophene

2-(3-bromo-2,5-dimethylphenyl)thiophene (PubChem CID 172709193) has the molecular formula C12H11BrS and a molecular weight of 267.19 g/mol. Its IUPAC name is 2-(3-bromo-2,5-dimethylphenyl)thiophene.

Molecular Properties

Compound Name2-(3-bromo-2,5-dimethylphenyl)thiophene
PubChem CID172709193
Molecular FormulaC12H11BrS
Molecular Weight267.19 g/mol
Exact Mass265.98
IUPAC Name2-(3-bromo-2,5-dimethylphenyl)thiophene
SMILESCc1cc(Br)c(C)c(-c2cccs2)c1
InChIInChI=1S/C12H11BrS/c1-8-6-10(9(2)11(13)7-8)12-4-3-5-14-12/h3-7H,1-2H3
InChIKeyDZZQUTXDHJDJEF-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dimethylphenyl)thiophene
CID 12781163
[4-[bis(3,5-dimethylphenyl)-hydroxymethyl]-2,5-dithiophen-2-ylphenyl]-bis(3,5-dimethylphenyl)methanol
CID 170244248
2-(2-tert-butyl-5-methylphenyl)thiophene
CID 70251318
CID 67822914
CID 67822914
CID 89317244
CID 89317244
5-methyl-2,3-dithiophen-2-ylfuran
CID 13148574
5-methyl-4-thiophen-2-ylthiophen-2-amine
CID 82399962
2,3-dibromo-5-thiophen-2-ylthiophene
CID 24796079
2-methyl-4-thiophen-2-ylquinoline
CID 11746306
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
ethane;2-(3-methylphenyl)thiophene
CID 143181554
2-(3,5-dibromophenyl)thiophene
CID 19006176

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,5-dimethylphenyl)thiophene?
The IUPAC name of 2-(3-bromo-2,5-dimethylphenyl)thiophene (CID 172709193) is 2-(3-bromo-2,5-dimethylphenyl)thiophene.
What is the SMILES notation for 2-(3-bromo-2,5-dimethylphenyl)thiophene?
The canonical SMILES for 2-(3-bromo-2,5-dimethylphenyl)thiophene is Cc1cc(Br)c(C)c(-c2cccs2)c1.
What is the InChIKey of 2-(3-bromo-2,5-dimethylphenyl)thiophene?
The InChIKey is DZZQUTXDHJDJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrS/c1-8-6-10(9(2)11(13)7-8)12-4-3-5-14-12/h3-7H,1-2H3.
What are the key properties of 2-(3-bromo-2,5-dimethylphenyl)thiophene?
2-(3-bromo-2,5-dimethylphenyl)thiophene has a molecular weight of 267.19 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,5-dimethylphenyl)thiophene is sourced from PubChem (CID 172709193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).