2-(2,2-dibromocyclopropyl)-5-ethylthiophene

C9H10Br2S — CID 130539819

IUPAC2-(2,2-dibromocyclopropyl)-5-ethylthiophene
SMILESCCc1ccc(C2CC2(Br)Br)s1
InChIInChI=1S/C9H10Br2S/c1-2-6-3-4-8(12-6)7-5-9(7,10)11/h3-4,7H,2,5H2,1H3
InChIKeyHENSOSCKWIHAOM-UHFFFAOYSA-N
MW310.05 g/mol
LogP4.28
Rot. Bonds2

About 2-(2,2-dibromocyclopropyl)-5-ethylthiophene

2-(2,2-dibromocyclopropyl)-5-ethylthiophene (PubChem CID 130539819) has the molecular formula C9H10Br2S and a molecular weight of 310.05 g/mol. Its IUPAC name is 2-(2,2-dibromocyclopropyl)-5-ethylthiophene.

Molecular Properties

Compound Name2-(2,2-dibromocyclopropyl)-5-ethylthiophene
PubChem CID130539819
Molecular FormulaC9H10Br2S
Molecular Weight310.05 g/mol
Exact Mass307.89
IUPAC Name2-(2,2-dibromocyclopropyl)-5-ethylthiophene
SMILESCCc1ccc(C2CC2(Br)Br)s1
InChIInChI=1S/C9H10Br2S/c1-2-6-3-4-8(12-6)7-5-9(7,10)11/h3-4,7H,2,5H2,1H3
InChIKeyHENSOSCKWIHAOM-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.05
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2,2-dibromocyclopropyl)-5-ethylthiophene?
The IUPAC name of 2-(2,2-dibromocyclopropyl)-5-ethylthiophene (CID 130539819) is 2-(2,2-dibromocyclopropyl)-5-ethylthiophene.
What is the SMILES notation for 2-(2,2-dibromocyclopropyl)-5-ethylthiophene?
The canonical SMILES for 2-(2,2-dibromocyclopropyl)-5-ethylthiophene is CCc1ccc(C2CC2(Br)Br)s1.
What is the InChIKey of 2-(2,2-dibromocyclopropyl)-5-ethylthiophene?
The InChIKey is HENSOSCKWIHAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2S/c1-2-6-3-4-8(12-6)7-5-9(7,10)11/h3-4,7H,2,5H2,1H3.
What are the key properties of 2-(2,2-dibromocyclopropyl)-5-ethylthiophene?
2-(2,2-dibromocyclopropyl)-5-ethylthiophene has a molecular weight of 310.05 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dibromocyclopropyl)-5-ethylthiophene is sourced from PubChem (CID 130539819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).