2-bromo-5-(3-chloro-2-methylpropyl)thiophene

C8H10BrClS — CID 66036533

IUPAC2-bromo-5-(3-chloro-2-methylpropyl)thiophene
SMILESCC(CCl)Cc1ccc(Br)s1
InChIInChI=1S/C8H10BrClS/c1-6(5-10)4-7-2-3-8(9)11-7/h2-3,6H,4-5H2,1H3
InChIKeyZJQVNARSEWCHNP-UHFFFAOYSA-N
MW253.59 g/mol
LogP3.93
Rot. Bonds3

About 2-bromo-5-(3-chloro-2-methylpropyl)thiophene

2-bromo-5-(3-chloro-2-methylpropyl)thiophene (PubChem CID 66036533) has the molecular formula C8H10BrClS and a molecular weight of 253.59 g/mol. Its IUPAC name is 2-bromo-5-(3-chloro-2-methylpropyl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(3-chloro-2-methylpropyl)thiophene
PubChem CID66036533
Molecular FormulaC8H10BrClS
Molecular Weight253.59 g/mol
Exact Mass251.94
IUPAC Name2-bromo-5-(3-chloro-2-methylpropyl)thiophene
SMILESCC(CCl)Cc1ccc(Br)s1
InChIInChI=1S/C8H10BrClS/c1-6(5-10)4-7-2-3-8(9)11-7/h2-3,6H,4-5H2,1H3
InChIKeyZJQVNARSEWCHNP-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.59
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-chloro-2-methylpropyl)thiophene?
The IUPAC name of 2-bromo-5-(3-chloro-2-methylpropyl)thiophene (CID 66036533) is 2-bromo-5-(3-chloro-2-methylpropyl)thiophene.
What is the SMILES notation for 2-bromo-5-(3-chloro-2-methylpropyl)thiophene?
The canonical SMILES for 2-bromo-5-(3-chloro-2-methylpropyl)thiophene is CC(CCl)Cc1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-(3-chloro-2-methylpropyl)thiophene?
The InChIKey is ZJQVNARSEWCHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClS/c1-6(5-10)4-7-2-3-8(9)11-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-bromo-5-(3-chloro-2-methylpropyl)thiophene?
2-bromo-5-(3-chloro-2-methylpropyl)thiophene has a molecular weight of 253.59 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-chloro-2-methylpropyl)thiophene is sourced from PubChem (CID 66036533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).