3-(4-bromo-2-methylpentyl)thiophene

C10H15BrS — CID 64721699

IUPAC3-(4-bromo-2-methylpentyl)thiophene
SMILESCC(Br)CC(C)Cc1ccsc1
InChIInChI=1S/C10H15BrS/c1-8(5-9(2)11)6-10-3-4-12-7-10/h3-4,7-9H,5-6H2,1-2H3
InChIKeyUSLHRMGSOKQBDY-UHFFFAOYSA-N
MW247.20 g/mol
LogP4.10
Rot. Bonds4

About 3-(4-bromo-2-methylpentyl)thiophene

3-(4-bromo-2-methylpentyl)thiophene (PubChem CID 64721699) has the molecular formula C10H15BrS and a molecular weight of 247.20 g/mol. Its IUPAC name is 3-(4-bromo-2-methylpentyl)thiophene.

Molecular Properties

Compound Name3-(4-bromo-2-methylpentyl)thiophene
PubChem CID64721699
Molecular FormulaC10H15BrS
Molecular Weight247.20 g/mol
Exact Mass246.01
IUPAC Name3-(4-bromo-2-methylpentyl)thiophene
SMILESCC(Br)CC(C)Cc1ccsc1
InChIInChI=1S/C10H15BrS/c1-8(5-9(2)11)6-10-3-4-12-7-10/h3-4,7-9H,5-6H2,1-2H3
InChIKeyUSLHRMGSOKQBDY-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 54.10
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

4-methyl-5-thiophen-3-ylpentan-2-ol
CID 64719896
2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62505176
3-(2,2-dibromoethyl)thiophene
CID 174416053
3-(2-fluoropropyl)thiophene
CID 74766003
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62530694
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
3-(2-bromo-3-methylsulfonylbutyl)thiophene
CID 104522152
3-(2-bromo-4,4-dimethylpentyl)thiophene
CID 63542905
3-(5-bromohexyl)thiophene
CID 64506689

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methylpentyl)thiophene?
The IUPAC name of 3-(4-bromo-2-methylpentyl)thiophene (CID 64721699) is 3-(4-bromo-2-methylpentyl)thiophene.
What is the SMILES notation for 3-(4-bromo-2-methylpentyl)thiophene?
The canonical SMILES for 3-(4-bromo-2-methylpentyl)thiophene is CC(Br)CC(C)Cc1ccsc1.
What is the InChIKey of 3-(4-bromo-2-methylpentyl)thiophene?
The InChIKey is USLHRMGSOKQBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrS/c1-8(5-9(2)11)6-10-3-4-12-7-10/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 3-(4-bromo-2-methylpentyl)thiophene?
3-(4-bromo-2-methylpentyl)thiophene has a molecular weight of 247.20 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methylpentyl)thiophene is sourced from PubChem (CID 64721699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).