3-bromo-2-chloro-5-ethyl-2,3-dihydrothiophene

C6H8BrClS — CID 89146315

IUPAC3-bromo-2-chloro-5-ethyl-2,3-dihydrothiophene
SMILESCCC1=CC(Br)C(Cl)S1
InChIInChI=1S/C6H8BrClS/c1-2-4-3-5(7)6(8)9-4/h3,5-6H,2H2,1H3
InChIKeyWRUPHADABOHGKF-UHFFFAOYSA-N
MW227.55 g/mol
LogP3.36
Rot. Bonds1

About 3-bromo-2-chloro-5-ethyl-2,3-dihydrothiophene

3-bromo-2-chloro-5-ethyl-2,3-dihydrothiophene (PubChem CID 89146315) has the molecular formula C6H8BrClS and a molecular weight of 227.55 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-ethyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name3-bromo-2-chloro-5-ethyl-2,3-dihydrothiophene
PubChem CID89146315
Molecular FormulaC6H8BrClS
Molecular Weight227.55 g/mol
Exact Mass225.92
IUPAC Name3-bromo-2-chloro-5-ethyl-2,3-dihydrothiophene
SMILESCCC1=CC(Br)C(Cl)S1
InChIInChI=1S/C6H8BrClS/c1-2-4-3-5(7)6(8)9-4/h3,5-6H,2H2,1H3
InChIKeyWRUPHADABOHGKF-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.55
LogP ≤ 53.36
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 3-bromo-2-chloro-5-ethyl-2,3-dihydrothiophene?
The IUPAC name of 3-bromo-2-chloro-5-ethyl-2,3-dihydrothiophene (CID 89146315) is 3-bromo-2-chloro-5-ethyl-2,3-dihydrothiophene.
What is the SMILES notation for 3-bromo-2-chloro-5-ethyl-2,3-dihydrothiophene?
The canonical SMILES for 3-bromo-2-chloro-5-ethyl-2,3-dihydrothiophene is CCC1=CC(Br)C(Cl)S1.
What is the InChIKey of 3-bromo-2-chloro-5-ethyl-2,3-dihydrothiophene?
The InChIKey is WRUPHADABOHGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrClS/c1-2-4-3-5(7)6(8)9-4/h3,5-6H,2H2,1H3.
What are the key properties of 3-bromo-2-chloro-5-ethyl-2,3-dihydrothiophene?
3-bromo-2-chloro-5-ethyl-2,3-dihydrothiophene has a molecular weight of 227.55 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-ethyl-2,3-dihydrothiophene is sourced from PubChem (CID 89146315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).