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

C13H12Br2S — CID 63471406

IUPAC3-bromo-2-(3-bromo-3-phenylpropyl)thiophene
SMILESBrc1ccsc1CCC(Br)c1ccccc1
InChIInChI=1S/C13H12Br2S/c14-11(10-4-2-1-3-5-10)6-7-13-12(15)8-9-16-13/h1-5,8-9,11H,6-7H2
InChIKeyMYCRTSAGAZSVMF-UHFFFAOYSA-N
MW360.11 g/mol
LogP5.58
Rot. Bonds4

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

3-bromo-2-(3-bromo-3-phenylpropyl)thiophene (PubChem CID 63471406) has the molecular formula C13H12Br2S and a molecular weight of 360.11 g/mol. Its IUPAC name is 3-bromo-2-(3-bromo-3-phenylpropyl)thiophene.

Molecular Properties

Compound Name3-bromo-2-(3-bromo-3-phenylpropyl)thiophene
PubChem CID63471406
Molecular FormulaC13H12Br2S
Molecular Weight360.11 g/mol
Exact Mass357.90
IUPAC Name3-bromo-2-(3-bromo-3-phenylpropyl)thiophene
SMILESBrc1ccsc1CCC(Br)c1ccccc1
InChIInChI=1S/C13H12Br2S/c14-11(10-4-2-1-3-5-10)6-7-13-12(15)8-9-16-13/h1-5,8-9,11H,6-7H2
InChIKeyMYCRTSAGAZSVMF-UHFFFAOYSA-N
XLogP5.58
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 ≤ 55.58
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

4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine
CID 81010701
4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine
CID 64500989
5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one
CID 116570893
3-(3-bromothiophen-2-yl)-2-phenylpropanoic acid
CID 65430568
1-(3-bromothiophen-2-yl)-4-phenylbutan-2-ol
CID 62606159
4-(3-bromothiophen-2-yl)-2-methylbutanal
CID 64665783
(2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol
CID 95027212
1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene
CID 55192636
1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine
CID 105139457
1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol
CID 65150014
5-(3-bromothiophen-2-yl)pentan-2-ol
CID 64516501
N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide
CID 103717860

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-bromo-3-phenylpropyl)thiophene?
The IUPAC name of 3-bromo-2-(3-bromo-3-phenylpropyl)thiophene (CID 63471406) is 3-bromo-2-(3-bromo-3-phenylpropyl)thiophene.
What is the SMILES notation for 3-bromo-2-(3-bromo-3-phenylpropyl)thiophene?
The canonical SMILES for 3-bromo-2-(3-bromo-3-phenylpropyl)thiophene is Brc1ccsc1CCC(Br)c1ccccc1.
What is the InChIKey of 3-bromo-2-(3-bromo-3-phenylpropyl)thiophene?
The InChIKey is MYCRTSAGAZSVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2S/c14-11(10-4-2-1-3-5-10)6-7-13-12(15)8-9-16-13/h1-5,8-9,11H,6-7H2.
What are the key properties of 3-bromo-2-(3-bromo-3-phenylpropyl)thiophene?
3-bromo-2-(3-bromo-3-phenylpropyl)thiophene has a molecular weight of 360.11 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3-bromo-3-phenylpropyl)thiophene is sourced from PubChem (CID 63471406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).