3-bromo-2,5-dimethylthiophene

C6H7BrS — CID 638585

IUPAC3-bromo-2,5-dimethylthiophene
SMILESCc1cc(Br)c(C)s1
InChIInChI=1S/C6H7BrS/c1-4-3-6(7)5(2)8-4/h3H,1-2H3
InChIKeyUODXWHPNUCOZEZ-UHFFFAOYSA-N
MW191.09 g/mol
LogP3.13
Rot. Bonds

About 3-bromo-2,5-dimethylthiophene

3-bromo-2,5-dimethylthiophene (PubChem CID 638585) has the molecular formula C6H7BrS and a molecular weight of 191.09 g/mol. Its IUPAC name is 3-bromo-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-bromo-2,5-dimethylthiophene
PubChem CID638585
Molecular FormulaC6H7BrS
Molecular Weight191.09 g/mol
Exact Mass189.95
IUPAC Name3-bromo-2,5-dimethylthiophene
SMILESCc1cc(Br)c(C)s1
InChIInChI=1S/C6H7BrS/c1-4-3-6(7)5(2)8-4/h3H,1-2H3
InChIKeyUODXWHPNUCOZEZ-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.09
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Dimethylthiophene
CID 12514
3-Bromo-2-methylthiophene
CID 96350
2-Bromo-5-methylthiophene
CID 69831
(4-Bromo-5-methylthiophen-2-yl)boronic acid
CID 12184011
3,5-Dibromo-2-methylthiophene
CID 122373
2-(2-Bromoethyl)thiophene
CID 566160
4-Bromo-2-methylthiophene
CID 638584
2-Bromo-5-hexylthiophene
CID 10562418
2-(5-Bromothiophen-2-yl)acetonitrile
CID 818876
3-Bromo-2-ethylthiophene
CID 12174739
2-Bromo-5-bromomethylthiophene
CID 12245923
2-Bromo-5-cyclopropylthiophene
CID 12643434

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-dimethylthiophene?
The IUPAC name of 3-bromo-2,5-dimethylthiophene (CID 638585) is 3-bromo-2,5-dimethylthiophene.
What is the SMILES notation for 3-bromo-2,5-dimethylthiophene?
The canonical SMILES for 3-bromo-2,5-dimethylthiophene is Cc1cc(Br)c(C)s1.
What is the InChIKey of 3-bromo-2,5-dimethylthiophene?
The InChIKey is UODXWHPNUCOZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrS/c1-4-3-6(7)5(2)8-4/h3H,1-2H3.
What are the key properties of 3-bromo-2,5-dimethylthiophene?
3-bromo-2,5-dimethylthiophene has a molecular weight of 191.09 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-dimethylthiophene is sourced from PubChem (CID 638585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).