3-bromo-2-(2-bromocyclopropyl)thiophene

C7H6Br2S — CID 130539869

IUPAC3-bromo-2-(2-bromocyclopropyl)thiophene
SMILESBrc1ccsc1C1CC1Br
InChIInChI=1S/C7H6Br2S/c8-5-1-2-10-7(5)4-3-6(4)9/h1-2,4,6H,3H2
InChIKeyBJRBWVKAOABACE-UHFFFAOYSA-N
MW282.00 g/mol
LogP3.76
Rot. Bonds1

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

3-bromo-2-(2-bromocyclopropyl)thiophene (PubChem CID 130539869) has the molecular formula C7H6Br2S and a molecular weight of 282.00 g/mol. Its IUPAC name is 3-bromo-2-(2-bromocyclopropyl)thiophene.

Molecular Properties

Compound Name3-bromo-2-(2-bromocyclopropyl)thiophene
PubChem CID130539869
Molecular FormulaC7H6Br2S
Molecular Weight282.00 g/mol
Exact Mass279.86
IUPAC Name3-bromo-2-(2-bromocyclopropyl)thiophene
SMILESBrc1ccsc1C1CC1Br
InChIInChI=1S/C7H6Br2S/c8-5-1-2-10-7(5)4-3-6(4)9/h1-2,4,6H,3H2
InChIKeyBJRBWVKAOABACE-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.00
LogP ≤ 53.76
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

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CID 130493813
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CID 130886552
3-(3-bromothiophen-2-yl)-2-ethyl-5-methylpyrrolidine
CID 115381430
[2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine
CID 81010319
1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine
CID 81017794
(2R)-2-(3-bromothiophen-2-yl)piperazine
CID 130612052
3-(3-bromothiophen-2-yl)piperidine
CID 82664967
4-(3-bromothiophen-2-yl)azepane
CID 83261383
bis(3-bromothiophen-2-yl)-dimethylstannane
CID 11762480
N-[[2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81031360
(4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one
CID 130116570
4-(3-bromothiophen-2-yl)-3-propylpiperidine
CID 115381531

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-bromocyclopropyl)thiophene?
The IUPAC name of 3-bromo-2-(2-bromocyclopropyl)thiophene (CID 130539869) is 3-bromo-2-(2-bromocyclopropyl)thiophene.
What is the SMILES notation for 3-bromo-2-(2-bromocyclopropyl)thiophene?
The canonical SMILES for 3-bromo-2-(2-bromocyclopropyl)thiophene is Brc1ccsc1C1CC1Br.
What is the InChIKey of 3-bromo-2-(2-bromocyclopropyl)thiophene?
The InChIKey is BJRBWVKAOABACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2S/c8-5-1-2-10-7(5)4-3-6(4)9/h1-2,4,6H,3H2.
What are the key properties of 3-bromo-2-(2-bromocyclopropyl)thiophene?
3-bromo-2-(2-bromocyclopropyl)thiophene has a molecular weight of 282.00 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-bromocyclopropyl)thiophene is sourced from PubChem (CID 130539869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).