2-(3-bromo-2-methylpropyl)sulfanylthiophene

C8H11BrS2 — CID 64996517

IUPAC2-(3-bromo-2-methylpropyl)sulfanylthiophene
SMILESCC(CBr)CSc1cccs1
InChIInChI=1S/C8H11BrS2/c1-7(5-9)6-11-8-3-2-4-10-8/h2-4,7H,5-6H2,1H3
InChIKeyFNYPTQBMNVWLSJ-UHFFFAOYSA-N
MW251.21 g/mol
LogP3.87
Rot. Bonds4

About 2-(3-bromo-2-methylpropyl)sulfanylthiophene

2-(3-bromo-2-methylpropyl)sulfanylthiophene (PubChem CID 64996517) has the molecular formula C8H11BrS2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-(3-bromo-2-methylpropyl)sulfanylthiophene.

Molecular Properties

Compound Name2-(3-bromo-2-methylpropyl)sulfanylthiophene
PubChem CID64996517
Molecular FormulaC8H11BrS2
Molecular Weight251.21 g/mol
Exact Mass249.95
IUPAC Name2-(3-bromo-2-methylpropyl)sulfanylthiophene
SMILESCC(CBr)CSc1cccs1
InChIInChI=1S/C8H11BrS2/c1-7(5-9)6-11-8-3-2-4-10-8/h2-4,7H,5-6H2,1H3
InChIKeyFNYPTQBMNVWLSJ-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-bromo-2-methylpropyl)sulfanylthiophene?
The IUPAC name of 2-(3-bromo-2-methylpropyl)sulfanylthiophene (CID 64996517) is 2-(3-bromo-2-methylpropyl)sulfanylthiophene.
What is the SMILES notation for 2-(3-bromo-2-methylpropyl)sulfanylthiophene?
The canonical SMILES for 2-(3-bromo-2-methylpropyl)sulfanylthiophene is CC(CBr)CSc1cccs1.
What is the InChIKey of 2-(3-bromo-2-methylpropyl)sulfanylthiophene?
The InChIKey is FNYPTQBMNVWLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrS2/c1-7(5-9)6-11-8-3-2-4-10-8/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-(3-bromo-2-methylpropyl)sulfanylthiophene?
2-(3-bromo-2-methylpropyl)sulfanylthiophene has a molecular weight of 251.21 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylpropyl)sulfanylthiophene is sourced from PubChem (CID 64996517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).