4-ethenyl-2,3-dihydrothiophene 1-oxide

C6H8OS — CID 14140764

IUPAC4-ethenyl-2,3-dihydrothiophene 1-oxide
SMILESC=CC1=CS(=O)CC1
InChIInChI=1S/C6H8OS/c1-2-6-3-4-8(7)5-6/h2,5H,1,3-4H2
InChIKeyWRBMWUVDFGGRNR-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.21
Rot. Bonds1

About 4-ethenyl-2,3-dihydrothiophene 1-oxide

4-ethenyl-2,3-dihydrothiophene 1-oxide (PubChem CID 14140764) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 4-ethenyl-2,3-dihydrothiophene 1-oxide.

Molecular Properties

Compound Name4-ethenyl-2,3-dihydrothiophene 1-oxide
PubChem CID14140764
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name4-ethenyl-2,3-dihydrothiophene 1-oxide
SMILESC=CC1=CS(=O)CC1
InChIInChI=1S/C6H8OS/c1-2-6-3-4-8(7)5-6/h2,5H,1,3-4H2
InChIKeyWRBMWUVDFGGRNR-UHFFFAOYSA-N
XLogP1.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,3-dihydrothiophene 1-oxide?
The IUPAC name of 4-ethenyl-2,3-dihydrothiophene 1-oxide (CID 14140764) is 4-ethenyl-2,3-dihydrothiophene 1-oxide.
What is the SMILES notation for 4-ethenyl-2,3-dihydrothiophene 1-oxide?
The canonical SMILES for 4-ethenyl-2,3-dihydrothiophene 1-oxide is C=CC1=CS(=O)CC1.
What is the InChIKey of 4-ethenyl-2,3-dihydrothiophene 1-oxide?
The InChIKey is WRBMWUVDFGGRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c1-2-6-3-4-8(7)5-6/h2,5H,1,3-4H2.
What are the key properties of 4-ethenyl-2,3-dihydrothiophene 1-oxide?
4-ethenyl-2,3-dihydrothiophene 1-oxide has a molecular weight of 128.20 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,3-dihydrothiophene 1-oxide is sourced from PubChem (CID 14140764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).