3-bromo-2-methyl-5-(4-methylphenyl)thiophene

C12H11BrS — CID 101058493

IUPAC3-bromo-2-methyl-5-(4-methylphenyl)thiophene
SMILESCc1ccc(-c2cc(Br)c(C)s2)cc1
InChIInChI=1S/C12H11BrS/c1-8-3-5-10(6-4-8)12-7-11(13)9(2)14-12/h3-7H,1-2H3
InChIKeyCKIPSKGIWYFAMJ-UHFFFAOYSA-N
MW267.19 g/mol
LogP4.79
Rot. Bonds1

About 3-bromo-2-methyl-5-(4-methylphenyl)thiophene

3-bromo-2-methyl-5-(4-methylphenyl)thiophene (PubChem CID 101058493) has the molecular formula C12H11BrS and a molecular weight of 267.19 g/mol. Its IUPAC name is 3-bromo-2-methyl-5-(4-methylphenyl)thiophene.

Molecular Properties

Compound Name3-bromo-2-methyl-5-(4-methylphenyl)thiophene
PubChem CID101058493
Molecular FormulaC12H11BrS
Molecular Weight267.19 g/mol
Exact Mass265.98
IUPAC Name3-bromo-2-methyl-5-(4-methylphenyl)thiophene
SMILESCc1ccc(-c2cc(Br)c(C)s2)cc1
InChIInChI=1S/C12H11BrS/c1-8-3-5-10(6-4-8)12-7-11(13)9(2)14-12/h3-7H,1-2H3
InChIKeyCKIPSKGIWYFAMJ-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

3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene
CID 71445661
5,12-dibromo-4,11-bis[3-bromo-5-(4-methylphenyl)thiophen-2-yl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
CID 58339775
2-(4-bromophenyl)-5-(4-methylphenyl)thiophene
CID 174894366
4,11-bis(4-methylphenyl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene
CID 130351901
2,7-bis[4-(4-methylphenyl)phenyl]-[1]benzothiolo[7,6-g][1]benzothiole
CID 156519942
5-(4-bromophenyl)-2-methyl-3-phenylthiophene
CID 156768567
2,3-dibromo-5-(4-ethylphenyl)thiophene
CID 44632438
4-(4-bromo-5-methylthiophen-2-yl)thiadiazole
CID 169490498
3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine
CID 102842233
2-(4-methylphenyl)thieno[3,2-c]pyridine
CID 59130313
4-(4-bromo-5-methylthiophen-2-yl)-6-(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656675
2-(4-bromo-5-methylthiophen-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine
CID 102842775

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-5-(4-methylphenyl)thiophene?
The IUPAC name of 3-bromo-2-methyl-5-(4-methylphenyl)thiophene (CID 101058493) is 3-bromo-2-methyl-5-(4-methylphenyl)thiophene.
What is the SMILES notation for 3-bromo-2-methyl-5-(4-methylphenyl)thiophene?
The canonical SMILES for 3-bromo-2-methyl-5-(4-methylphenyl)thiophene is Cc1ccc(-c2cc(Br)c(C)s2)cc1.
What is the InChIKey of 3-bromo-2-methyl-5-(4-methylphenyl)thiophene?
The InChIKey is CKIPSKGIWYFAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrS/c1-8-3-5-10(6-4-8)12-7-11(13)9(2)14-12/h3-7H,1-2H3.
What are the key properties of 3-bromo-2-methyl-5-(4-methylphenyl)thiophene?
3-bromo-2-methyl-5-(4-methylphenyl)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 3-bromo-2-methyl-5-(4-methylphenyl)thiophene is sourced from PubChem (CID 101058493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).