5-[(E)-2-phenylethenyl]-1,3-oxathiole 3-oxide

C11H10O2S — CID 14085798

IUPAC5-[(E)-2-phenylethenyl]-1,3-oxathiole 3-oxide
SMILESO=S1C=C(/C=C/c2ccccc2)OC1
InChIInChI=1S/C11H10O2S/c12-14-8-11(13-9-14)7-6-10-4-2-1-3-5-10/h1-8H,9H2/b7-6+
InChIKeyNLQDXSXKKWJMJS-VOTSOKGWSA-N
MW206.27 g/mol
LogP2.28
Rot. Bonds2

About 5-[(E)-2-phenylethenyl]-1,3-oxathiole 3-oxide

5-[(E)-2-phenylethenyl]-1,3-oxathiole 3-oxide (PubChem CID 14085798) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 5-[(E)-2-phenylethenyl]-1,3-oxathiole 3-oxide.

Molecular Properties

Compound Name5-[(E)-2-phenylethenyl]-1,3-oxathiole 3-oxide
PubChem CID14085798
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name5-[(E)-2-phenylethenyl]-1,3-oxathiole 3-oxide
SMILESO=S1C=C(/C=C/c2ccccc2)OC1
InChIInChI=1S/C11H10O2S/c12-14-8-11(13-9-14)7-6-10-4-2-1-3-5-10/h1-8H,9H2/b7-6+
InChIKeyNLQDXSXKKWJMJS-VOTSOKGWSA-N
XLogP2.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 70567885
CID 70567885
CID 70569152
CID 70569152
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808
stilbene;sulfuric acid
CID 67612140
acetic acid;stilbene
CID 172803728
CID 148518460
CID 148518460
stilbene azide
CID 159769295
(1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide
CID 10421779
N,N-dimethylmethanamine;stilbene
CID 174368184

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-phenylethenyl]-1,3-oxathiole 3-oxide?
The IUPAC name of 5-[(E)-2-phenylethenyl]-1,3-oxathiole 3-oxide (CID 14085798) is 5-[(E)-2-phenylethenyl]-1,3-oxathiole 3-oxide.
What is the SMILES notation for 5-[(E)-2-phenylethenyl]-1,3-oxathiole 3-oxide?
The canonical SMILES for 5-[(E)-2-phenylethenyl]-1,3-oxathiole 3-oxide is O=S1C=C(/C=C/c2ccccc2)OC1.
What is the InChIKey of 5-[(E)-2-phenylethenyl]-1,3-oxathiole 3-oxide?
The InChIKey is NLQDXSXKKWJMJS-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H10O2S/c12-14-8-11(13-9-14)7-6-10-4-2-1-3-5-10/h1-8H,9H2/b7-6+.
What are the key properties of 5-[(E)-2-phenylethenyl]-1,3-oxathiole 3-oxide?
5-[(E)-2-phenylethenyl]-1,3-oxathiole 3-oxide has a molecular weight of 206.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-phenylethenyl]-1,3-oxathiole 3-oxide is sourced from PubChem (CID 14085798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).