2-ethenyl-1,4-oxathiane

C6H10OS — CID 67652907

IUPAC2-ethenyl-1,4-oxathiane
SMILESC=CC1CSCCO1
InChIInChI=1S/C6H10OS/c1-2-6-5-8-4-3-7-6/h2,6H,1,3-5H2
InChIKeyKWGPBAQNCNIGCI-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.30
Rot. Bonds1

About 2-ethenyl-1,4-oxathiane

2-ethenyl-1,4-oxathiane (PubChem CID 67652907) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 2-ethenyl-1,4-oxathiane.

Molecular Properties

Compound Name2-ethenyl-1,4-oxathiane
PubChem CID67652907
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name2-ethenyl-1,4-oxathiane
SMILESC=CC1CSCCO1
InChIInChI=1S/C6H10OS/c1-2-6-5-8-4-3-7-6/h2,6H,1,3-5H2
InChIKeyKWGPBAQNCNIGCI-UHFFFAOYSA-N
XLogP1.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3,4-dihydro-2H-thiopyran
CID 20213450
3-Prop-2-enoxythiolane
CID 20311166
2-Ethenyl-1,4-oxathiane 4,4-dioxide
CID 21102854
3-But-3-en-2-yloxythiolane
CID 21410044
(4S)-4-methoxy-3,4-dihydro-2H-thiopyran
CID 22846029
5-Ethenyl-2-methyl-1,3-oxathiolane
CID 70232072
2-Ethylsulfanylethoxyethene
CID 87255384
3-Ethoxy-4-(2-ethoxybut-3-enylsulfanyl)but-1-ene
CID 87899821
3-Methoxy-2,3-dihydrothiophene
CID 89093409
3-ethoxy-3,6-dihydro-2H-thiopyran
CID 139942024
2-Ethenyl-2,6-dimethyl-1,3-oxathiane
CID 168897244
5-Ethenyl-1,3-oxathiolane
CID 173282468

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,4-oxathiane?
The IUPAC name of 2-ethenyl-1,4-oxathiane (CID 67652907) is 2-ethenyl-1,4-oxathiane.
What is the SMILES notation for 2-ethenyl-1,4-oxathiane?
The canonical SMILES for 2-ethenyl-1,4-oxathiane is C=CC1CSCCO1.
What is the InChIKey of 2-ethenyl-1,4-oxathiane?
The InChIKey is KWGPBAQNCNIGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-6-5-8-4-3-7-6/h2,6H,1,3-5H2.
What are the key properties of 2-ethenyl-1,4-oxathiane?
2-ethenyl-1,4-oxathiane has a molecular weight of 130.21 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,4-oxathiane is sourced from PubChem (CID 67652907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).