4-chloro-2-ethyl-2,3-dihydrothiophene

C6H9ClS — CID 54006609

IUPAC4-chloro-2-ethyl-2,3-dihydrothiophene
SMILESCCC1CC(Cl)=CS1
InChIInChI=1S/C6H9ClS/c1-2-6-3-5(7)4-8-6/h4,6H,2-3H2,1H3
InChIKeyKPHXMVXXZUYCAL-UHFFFAOYSA-N
MW148.66 g/mol
LogP2.98
Rot. Bonds1

About 4-chloro-2-ethyl-2,3-dihydrothiophene

4-chloro-2-ethyl-2,3-dihydrothiophene (PubChem CID 54006609) has the molecular formula C6H9ClS and a molecular weight of 148.66 g/mol. Its IUPAC name is 4-chloro-2-ethyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name4-chloro-2-ethyl-2,3-dihydrothiophene
PubChem CID54006609
Molecular FormulaC6H9ClS
Molecular Weight148.66 g/mol
Exact Mass148.01
IUPAC Name4-chloro-2-ethyl-2,3-dihydrothiophene
SMILESCCC1CC(Cl)=CS1
InChIInChI=1S/C6H9ClS/c1-2-6-3-5(7)4-8-6/h4,6H,2-3H2,1H3
InChIKeyKPHXMVXXZUYCAL-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.66
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-2,3-dihydrothiophene?
The IUPAC name of 4-chloro-2-ethyl-2,3-dihydrothiophene (CID 54006609) is 4-chloro-2-ethyl-2,3-dihydrothiophene.
What is the SMILES notation for 4-chloro-2-ethyl-2,3-dihydrothiophene?
The canonical SMILES for 4-chloro-2-ethyl-2,3-dihydrothiophene is CCC1CC(Cl)=CS1.
What is the InChIKey of 4-chloro-2-ethyl-2,3-dihydrothiophene?
The InChIKey is KPHXMVXXZUYCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClS/c1-2-6-3-5(7)4-8-6/h4,6H,2-3H2,1H3.
What are the key properties of 4-chloro-2-ethyl-2,3-dihydrothiophene?
4-chloro-2-ethyl-2,3-dihydrothiophene has a molecular weight of 148.66 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-2,3-dihydrothiophene is sourced from PubChem (CID 54006609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).