2-bromo-5-(3-bromo-2-phenylpropyl)thiophene

C13H12Br2S — CID 66043259

IUPAC2-bromo-5-(3-bromo-2-phenylpropyl)thiophene
SMILESBrCC(Cc1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C13H12Br2S/c14-9-11(10-4-2-1-3-5-10)8-12-6-7-13(15)16-12/h1-7,11H,8-9H2
InChIKeyIIHMAYWKWJQYQF-UHFFFAOYSA-N
MW360.11 g/mol
LogP5.23
Rot. Bonds4

About 2-bromo-5-(3-bromo-2-phenylpropyl)thiophene

2-bromo-5-(3-bromo-2-phenylpropyl)thiophene (PubChem CID 66043259) has the molecular formula C13H12Br2S and a molecular weight of 360.11 g/mol. Its IUPAC name is 2-bromo-5-(3-bromo-2-phenylpropyl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(3-bromo-2-phenylpropyl)thiophene
PubChem CID66043259
Molecular FormulaC13H12Br2S
Molecular Weight360.11 g/mol
Exact Mass357.90
IUPAC Name2-bromo-5-(3-bromo-2-phenylpropyl)thiophene
SMILESBrCC(Cc1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C13H12Br2S/c14-9-11(10-4-2-1-3-5-10)8-12-6-7-13(15)16-12/h1-7,11H,8-9H2
InChIKeyIIHMAYWKWJQYQF-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.11
LogP ≤ 55.23
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-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454843
2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene
CID 79435351
2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol
CID 79437810
5-(3-bromo-2-phenylpropyl)-2-methyl-1,3-thiazole
CID 66042860
2-[3-bromo-2-(4-bromophenyl)propyl]-5-chlorothiophene
CID 79434777
1-(3-bromo-2-phenylpropyl)-2-fluorobenzene
CID 66043262
1-(3-bromo-2-phenylpropyl)-2-chlorobenzene
CID 66041463
2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene
CID 79454547
2-[3-bromo-2-(3-chlorophenyl)propyl]-5-chlorothiophene
CID 79430000
3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine
CID 79441567
3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
CID 79420784
(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide
CID 93434478

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-bromo-2-phenylpropyl)thiophene?
The IUPAC name of 2-bromo-5-(3-bromo-2-phenylpropyl)thiophene (CID 66043259) is 2-bromo-5-(3-bromo-2-phenylpropyl)thiophene.
What is the SMILES notation for 2-bromo-5-(3-bromo-2-phenylpropyl)thiophene?
The canonical SMILES for 2-bromo-5-(3-bromo-2-phenylpropyl)thiophene is BrCC(Cc1ccc(Br)s1)c1ccccc1.
What is the InChIKey of 2-bromo-5-(3-bromo-2-phenylpropyl)thiophene?
The InChIKey is IIHMAYWKWJQYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2S/c14-9-11(10-4-2-1-3-5-10)8-12-6-7-13(15)16-12/h1-7,11H,8-9H2.
What are the key properties of 2-bromo-5-(3-bromo-2-phenylpropyl)thiophene?
2-bromo-5-(3-bromo-2-phenylpropyl)thiophene has a molecular weight of 360.11 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-bromo-2-phenylpropyl)thiophene is sourced from PubChem (CID 66043259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).