4,5-bis(ethenyl)-1,3-oxathiol-2-one

C7H6O2S — CID 143838126

IUPAC4,5-bis(ethenyl)-1,3-oxathiol-2-one
SMILESC=Cc1oc(=O)sc1C=C
InChIInChI=1S/C7H6O2S/c1-3-5-6(4-2)10-7(8)9-5/h3-4H,1-2H2
InChIKeyVIDLHBDHWPQXNS-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.99
Rot. Bonds2

About 4,5-bis(ethenyl)-1,3-oxathiol-2-one

4,5-bis(ethenyl)-1,3-oxathiol-2-one (PubChem CID 143838126) has the molecular formula C7H6O2S and a molecular weight of 154.19 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-1,3-oxathiol-2-one.

Molecular Properties

Compound Name4,5-bis(ethenyl)-1,3-oxathiol-2-one
PubChem CID143838126
Molecular FormulaC7H6O2S
Molecular Weight154.19 g/mol
Exact Mass154.01
IUPAC Name4,5-bis(ethenyl)-1,3-oxathiol-2-one
SMILESC=Cc1oc(=O)sc1C=C
InChIInChI=1S/C7H6O2S/c1-3-5-6(4-2)10-7(8)9-5/h3-4H,1-2H2
InChIKeyVIDLHBDHWPQXNS-UHFFFAOYSA-N
XLogP1.99
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-1,3-oxathiol-2-one?
The IUPAC name of 4,5-bis(ethenyl)-1,3-oxathiol-2-one (CID 143838126) is 4,5-bis(ethenyl)-1,3-oxathiol-2-one.
What is the SMILES notation for 4,5-bis(ethenyl)-1,3-oxathiol-2-one?
The canonical SMILES for 4,5-bis(ethenyl)-1,3-oxathiol-2-one is C=Cc1oc(=O)sc1C=C.
What is the InChIKey of 4,5-bis(ethenyl)-1,3-oxathiol-2-one?
The InChIKey is VIDLHBDHWPQXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2S/c1-3-5-6(4-2)10-7(8)9-5/h3-4H,1-2H2.
What are the key properties of 4,5-bis(ethenyl)-1,3-oxathiol-2-one?
4,5-bis(ethenyl)-1,3-oxathiol-2-one has a molecular weight of 154.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-1,3-oxathiol-2-one is sourced from PubChem (CID 143838126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).