2-(2-bromopropan-2-yl)thiophene

C7H9BrS — CID 174915633

IUPAC2-(2-bromopropan-2-yl)thiophene
SMILESCC(C)(Br)c1cccs1
InChIInChI=1S/C7H9BrS/c1-7(2,8)6-4-3-5-9-6/h3-5H,1-2H3
InChIKeyGTEAPNKMDNLBJF-UHFFFAOYSA-N
MW205.12 g/mol
LogP3.38
Rot. Bonds1

About 2-(2-bromopropan-2-yl)thiophene

2-(2-bromopropan-2-yl)thiophene (PubChem CID 174915633) has the molecular formula C7H9BrS and a molecular weight of 205.12 g/mol. Its IUPAC name is 2-(2-bromopropan-2-yl)thiophene.

Molecular Properties

Compound Name2-(2-bromopropan-2-yl)thiophene
PubChem CID174915633
Molecular FormulaC7H9BrS
Molecular Weight205.12 g/mol
Exact Mass203.96
IUPAC Name2-(2-bromopropan-2-yl)thiophene
SMILESCC(C)(Br)c1cccs1
InChIInChI=1S/C7H9BrS/c1-7(2,8)6-4-3-5-9-6/h3-5H,1-2H3
InChIKeyGTEAPNKMDNLBJF-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.12
LogP ≤ 53.38
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-tert-butylthiophene;methanamine
CID 143976463
2-(1,1-dichloroethyl)thiophene
CID 12555703
2-(1-bromo-2-methylpropan-2-yl)thiophene
CID 83690309
2-methyl-2-thiophen-2-ylpropan-1-amine
CID 51664087
ethane;2-(2-methylbutan-2-yl)thiophene
CID 142062871
2-(1-chloro-2-methylpropan-2-yl)thiophene
CID 154107468
2-tert-butylthiophene;oxaldehyde
CID 175171370
bromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate
CID 19968462
2-(2,3,3,4-tetramethylpentan-2-yl)thiophene
CID 126728897
1-hydroxy-1,1-dithiophen-2-ylpropan-2-one
CID 23553455
N-propan-2-yl-2-thiophen-2-ylpropan-2-amine
CID 130725780
(2S)-2-amino-2-thiophen-2-ylpropanal
CID 57139639

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopropan-2-yl)thiophene?
The IUPAC name of 2-(2-bromopropan-2-yl)thiophene (CID 174915633) is 2-(2-bromopropan-2-yl)thiophene.
What is the SMILES notation for 2-(2-bromopropan-2-yl)thiophene?
The canonical SMILES for 2-(2-bromopropan-2-yl)thiophene is CC(C)(Br)c1cccs1.
What is the InChIKey of 2-(2-bromopropan-2-yl)thiophene?
The InChIKey is GTEAPNKMDNLBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrS/c1-7(2,8)6-4-3-5-9-6/h3-5H,1-2H3.
What are the key properties of 2-(2-bromopropan-2-yl)thiophene?
2-(2-bromopropan-2-yl)thiophene has a molecular weight of 205.12 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopropan-2-yl)thiophene is sourced from PubChem (CID 174915633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).