3-(1-bromo-2-cyclopropylethyl)-2,5-dimethylthiophene

C11H15BrS — CID 63440922

IUPAC3-(1-bromo-2-cyclopropylethyl)-2,5-dimethylthiophene
SMILESCc1cc(C(Br)CC2CC2)c(C)s1
InChIInChI=1S/C11H15BrS/c1-7-5-10(8(2)13-7)11(12)6-9-3-4-9/h5,9,11H,3-4,6H2,1-2H3
InChIKeyBROWMHQCGONKTA-UHFFFAOYSA-N
MW259.21 g/mol
LogP4.60
Rot. Bonds3

About 3-(1-bromo-2-cyclopropylethyl)-2,5-dimethylthiophene

3-(1-bromo-2-cyclopropylethyl)-2,5-dimethylthiophene (PubChem CID 63440922) has the molecular formula C11H15BrS and a molecular weight of 259.21 g/mol. Its IUPAC name is 3-(1-bromo-2-cyclopropylethyl)-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-(1-bromo-2-cyclopropylethyl)-2,5-dimethylthiophene
PubChem CID63440922
Molecular FormulaC11H15BrS
Molecular Weight259.21 g/mol
Exact Mass258.01
IUPAC Name3-(1-bromo-2-cyclopropylethyl)-2,5-dimethylthiophene
SMILESCc1cc(C(Br)CC2CC2)c(C)s1
InChIInChI=1S/C11H15BrS/c1-7-5-10(8(2)13-7)11(12)6-9-3-4-9/h5,9,11H,3-4,6H2,1-2H3
InChIKeyBROWMHQCGONKTA-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene
CID 61097945
1-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 64919929
2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
CID 60866013
1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386041
3-(1-chloro-3-cyclopentylpropyl)-2,5-dimethylthiophene
CID 63432096
3-[1-bromo-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene
CID 63440974
3-[1-bromo-2-(4-chlorophenyl)ethyl]-2,5-dimethylthiophene
CID 55198965
5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene
CID 103165928
3-[1-adamantyl(bromo)methyl]-2,5-dimethylthiophene
CID 63440372
3-[bromo-(2,5-dimethylthiophen-3-yl)methyl]-2-methyloxolane
CID 79762730
3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol
CID 63427096
1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene
CID 103165895

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromo-2-cyclopropylethyl)-2,5-dimethylthiophene?
The IUPAC name of 3-(1-bromo-2-cyclopropylethyl)-2,5-dimethylthiophene (CID 63440922) is 3-(1-bromo-2-cyclopropylethyl)-2,5-dimethylthiophene.
What is the SMILES notation for 3-(1-bromo-2-cyclopropylethyl)-2,5-dimethylthiophene?
The canonical SMILES for 3-(1-bromo-2-cyclopropylethyl)-2,5-dimethylthiophene is Cc1cc(C(Br)CC2CC2)c(C)s1.
What is the InChIKey of 3-(1-bromo-2-cyclopropylethyl)-2,5-dimethylthiophene?
The InChIKey is BROWMHQCGONKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrS/c1-7-5-10(8(2)13-7)11(12)6-9-3-4-9/h5,9,11H,3-4,6H2,1-2H3.
What are the key properties of 3-(1-bromo-2-cyclopropylethyl)-2,5-dimethylthiophene?
3-(1-bromo-2-cyclopropylethyl)-2,5-dimethylthiophene has a molecular weight of 259.21 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromo-2-cyclopropylethyl)-2,5-dimethylthiophene is sourced from PubChem (CID 63440922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).