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

C10H15BrS — CID 61097945

IUPAC3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene
SMILESCc1cc(C(Br)C(C)C)c(C)s1
InChIInChI=1S/C10H15BrS/c1-6(2)10(11)9-5-7(3)12-8(9)4/h5-6,10H,1-4H3
InChIKeyTZDJUCMHWNPHHM-UHFFFAOYSA-N
MW247.20 g/mol
LogP4.46
Rot. Bonds2

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

3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene (PubChem CID 61097945) has the molecular formula C10H15BrS and a molecular weight of 247.20 g/mol. Its IUPAC name is 3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene
PubChem CID61097945
Molecular FormulaC10H15BrS
Molecular Weight247.20 g/mol
Exact Mass246.01
IUPAC Name3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene
SMILESCc1cc(C(Br)C(C)C)c(C)s1
InChIInChI=1S/C10H15BrS/c1-6(2)10(11)9-5-7(3)12-8(9)4/h5-6,10H,1-4H3
InChIKeyTZDJUCMHWNPHHM-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 54.46
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-3,3-difluoro-2-methylbutyl)-2,5-dimethylthiophene
CID 130673620
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CID 63440369
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43200633
3-[bromo-(5-methylthiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63440541
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
3-(1-bromo-2-cyclopropylethyl)-2,5-dimethylthiophene
CID 63440922
2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene
CID 112684505
1-(2,5-dimethylthiophen-3-yl)-3-methylbutan-1-ol
CID 61088727
4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43126565
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylthiourea
CID 115579469
3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene
CID 63432587

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene?
The IUPAC name of 3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene (CID 61097945) is 3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene.
What is the SMILES notation for 3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene?
The canonical SMILES for 3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene is Cc1cc(C(Br)C(C)C)c(C)s1.
What is the InChIKey of 3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene?
The InChIKey is TZDJUCMHWNPHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrS/c1-6(2)10(11)9-5-7(3)12-8(9)4/h5-6,10H,1-4H3.
What are the key properties of 3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene?
3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene has a molecular weight of 247.20 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene is sourced from PubChem (CID 61097945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).