2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene

C9H12BrClS — CID 79991257

IUPAC2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene
SMILESCc1cc(C(Cl)C(C)C)sc1Br
InChIInChI=1S/C9H12BrClS/c1-5(2)8(11)7-4-6(3)9(10)12-7/h4-5,8H,1-3H3
InChIKeyFWBJBYWBIWBAGF-UHFFFAOYSA-N
MW267.62 g/mol
LogP4.75
Rot. Bonds2

About 2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene

2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene (PubChem CID 79991257) has the molecular formula C9H12BrClS and a molecular weight of 267.62 g/mol. Its IUPAC name is 2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene.

Molecular Properties

Compound Name2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene
PubChem CID79991257
Molecular FormulaC9H12BrClS
Molecular Weight267.62 g/mol
Exact Mass265.95
IUPAC Name2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene
SMILESCc1cc(C(Cl)C(C)C)sc1Br
InChIInChI=1S/C9H12BrClS/c1-5(2)8(11)7-4-6(3)9(10)12-7/h4-5,8H,1-3H3
InChIKeyFWBJBYWBIWBAGF-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.62
LogP ≤ 54.75
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

2-bromo-5-(1-chloro-2,2-difluoroethyl)-3-methylthiophene
CID 103514612
2-bromo-5-[chloro-(4-propan-2-ylphenyl)methyl]-3-methylthiophene
CID 79996665
2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-3-methylthiophene
CID 79997347
2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene
CID 79997011
[1-(5-bromo-4-methylthiophen-2-yl)-2-methylpropyl]hydrazine
CID 105281749
2-bromo-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-3-methylthiophene
CID 115484725
3-(5-bromo-4-methylthiophen-2-yl)-3-hydroxy-2-methylpropanoic acid
CID 130645620
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247467
3-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran
CID 79991587
2-bromo-5-[(4-bromo-2-methylphenyl)-chloromethyl]-3-methylthiophene
CID 79992124
2-bromo-5-(1-bromo-4-methylpentyl)-3-methylthiophene
CID 79991383
2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene
CID 80534570

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene?
The IUPAC name of 2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene (CID 79991257) is 2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene.
What is the SMILES notation for 2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene?
The canonical SMILES for 2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene is Cc1cc(C(Cl)C(C)C)sc1Br.
What is the InChIKey of 2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene?
The InChIKey is FWBJBYWBIWBAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClS/c1-5(2)8(11)7-4-6(3)9(10)12-7/h4-5,8H,1-3H3.
What are the key properties of 2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene?
2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene has a molecular weight of 267.62 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene is sourced from PubChem (CID 79991257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).