3-bromo-2-(1-bromo-2-cyclopropylpropyl)-5-methylthiophene

C11H14Br2S — CID 83149091

IUPAC3-bromo-2-(1-bromo-2-cyclopropylpropyl)-5-methylthiophene
SMILESCc1cc(Br)c(C(Br)C(C)C2CC2)s1
InChIInChI=1S/C11H14Br2S/c1-6-5-9(12)11(14-6)10(13)7(2)8-3-4-8/h5,7-8,10H,3-4H2,1-2H3
InChIKeyQHHJCGKBZQBUPE-UHFFFAOYSA-N
MW338.11 g/mol
LogP5.30
Rot. Bonds3

About 3-bromo-2-(1-bromo-2-cyclopropylpropyl)-5-methylthiophene

3-bromo-2-(1-bromo-2-cyclopropylpropyl)-5-methylthiophene (PubChem CID 83149091) has the molecular formula C11H14Br2S and a molecular weight of 338.11 g/mol. Its IUPAC name is 3-bromo-2-(1-bromo-2-cyclopropylpropyl)-5-methylthiophene.

Molecular Properties

Compound Name3-bromo-2-(1-bromo-2-cyclopropylpropyl)-5-methylthiophene
PubChem CID83149091
Molecular FormulaC11H14Br2S
Molecular Weight338.11 g/mol
Exact Mass335.92
IUPAC Name3-bromo-2-(1-bromo-2-cyclopropylpropyl)-5-methylthiophene
SMILESCc1cc(Br)c(C(Br)C(C)C2CC2)s1
InChIInChI=1S/C11H14Br2S/c1-6-5-9(12)11(14-6)10(13)7(2)8-3-4-8/h5,7-8,10H,3-4H2,1-2H3
InChIKeyQHHJCGKBZQBUPE-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.11
LogP ≤ 55.30
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-bromo-2-(1-chloro-2-cyclopropylpropyl)-5-methylthiophene
CID 83148973
4-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]oxane
CID 65278822
3-bromo-2-(1-bromo-2-propylpentyl)-5-methylthiophene
CID 82987176
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine
CID 65279451
1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine
CID 114457699
3-bromo-2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-methylthiophene
CID 107182444
3-bromo-2-[bromo-[(1R,2R)-2-ethylcyclopropyl]methyl]-5-methylthiophene
CID 130805080
2-[bromo(cycloheptyl)methyl]-3,5-dimethylthiophene
CID 81157820
3-(1-bromo-2-cyclopropylpropyl)-2,5-dichlorothiophene
CID 83149199
3-bromo-2-[bromo-(3-chloro-4-methylphenyl)methyl]-5-methylthiophene
CID 65283694
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 65279032
3-bromo-2-[bromo-(3-bromophenyl)methyl]-5-methylthiophene
CID 65278245

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(1-bromo-2-cyclopropylpropyl)-5-methylthiophene?
The IUPAC name of 3-bromo-2-(1-bromo-2-cyclopropylpropyl)-5-methylthiophene (CID 83149091) is 3-bromo-2-(1-bromo-2-cyclopropylpropyl)-5-methylthiophene.
What is the SMILES notation for 3-bromo-2-(1-bromo-2-cyclopropylpropyl)-5-methylthiophene?
The canonical SMILES for 3-bromo-2-(1-bromo-2-cyclopropylpropyl)-5-methylthiophene is Cc1cc(Br)c(C(Br)C(C)C2CC2)s1.
What is the InChIKey of 3-bromo-2-(1-bromo-2-cyclopropylpropyl)-5-methylthiophene?
The InChIKey is QHHJCGKBZQBUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2S/c1-6-5-9(12)11(14-6)10(13)7(2)8-3-4-8/h5,7-8,10H,3-4H2,1-2H3.
What are the key properties of 3-bromo-2-(1-bromo-2-cyclopropylpropyl)-5-methylthiophene?
3-bromo-2-(1-bromo-2-cyclopropylpropyl)-5-methylthiophene has a molecular weight of 338.11 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(1-bromo-2-cyclopropylpropyl)-5-methylthiophene is sourced from PubChem (CID 83149091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).