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

C10H15BrS — CID 63017436

IUPAC2-(2-bromo-3-methylpentyl)thiophene
SMILESCCC(C)C(Br)Cc1cccs1
InChIInChI=1S/C10H15BrS/c1-3-8(2)10(11)7-9-5-4-6-12-9/h4-6,8,10H,3,7H2,1-2H3
InChIKeyBDBJIFSZNPFCDP-UHFFFAOYSA-N
MW247.20 g/mol
LogP4.10
Rot. Bonds4

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

2-(2-bromo-3-methylpentyl)thiophene (PubChem CID 63017436) has the molecular formula C10H15BrS and a molecular weight of 247.20 g/mol. Its IUPAC name is 2-(2-bromo-3-methylpentyl)thiophene.

Molecular Properties

Compound Name2-(2-bromo-3-methylpentyl)thiophene
PubChem CID63017436
Molecular FormulaC10H15BrS
Molecular Weight247.20 g/mol
Exact Mass246.01
IUPAC Name2-(2-bromo-3-methylpentyl)thiophene
SMILESCCC(C)C(Br)Cc1cccs1
InChIInChI=1S/C10H15BrS/c1-3-8(2)10(11)7-9-5-4-6-12-9/h4-6,8,10H,3,7H2,1-2H3
InChIKeyBDBJIFSZNPFCDP-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

3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 28669346
2-(2-chloro-3-ethylpentyl)thiophene
CID 63520573
2-[2-(chloromethyl)butyl]thiophene
CID 66035000
N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine
CID 61000963
3-methyl-1-thiophen-2-ylhexan-2-amine
CID 61078853
2-[2-bromo-2-(3,4-diethoxyphenyl)ethyl]thiophene
CID 63543455
2-[2-bromo-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 55149924
N,3-dimethyl-1-thiophen-2-ylhexan-2-amine
CID 61064795
3-methoxy-1-thiophen-2-ylpentan-2-amine
CID 116715036
3-methoxy-1-thiophen-2-ylbutan-2-ol
CID 79616428
(2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide
CID 61174235

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-methylpentyl)thiophene?
The IUPAC name of 2-(2-bromo-3-methylpentyl)thiophene (CID 63017436) is 2-(2-bromo-3-methylpentyl)thiophene.
What is the SMILES notation for 2-(2-bromo-3-methylpentyl)thiophene?
The canonical SMILES for 2-(2-bromo-3-methylpentyl)thiophene is CCC(C)C(Br)Cc1cccs1.
What is the InChIKey of 2-(2-bromo-3-methylpentyl)thiophene?
The InChIKey is BDBJIFSZNPFCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrS/c1-3-8(2)10(11)7-9-5-4-6-12-9/h4-6,8,10H,3,7H2,1-2H3.
What are the key properties of 2-(2-bromo-3-methylpentyl)thiophene?
2-(2-bromo-3-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 2-(2-bromo-3-methylpentyl)thiophene is sourced from PubChem (CID 63017436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).