2-[(E)-2-phenylethenyl]thiolane

C12H14S — CID 175715448

IUPAC2-[(E)-2-phenylethenyl]thiolane
SMILESC(=C/C1CCCS1)\c1ccccc1
InChIInChI=1S/C12H14S/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6,8-9,12H,4,7,10H2/b9-8+
InChIKeyTWUZYJZNILCLBS-CMDGGOBGSA-N
MW190.31 g/mol
LogP3.60
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]thiolane

2-[(E)-2-phenylethenyl]thiolane (PubChem CID 175715448) has the molecular formula C12H14S and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]thiolane.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]thiolane
PubChem CID175715448
Molecular FormulaC12H14S
Molecular Weight190.31 g/mol
Exact Mass190.08
IUPAC Name2-[(E)-2-phenylethenyl]thiolane
SMILESC(=C/C1CCCS1)\c1ccccc1
InChIInChI=1S/C12H14S/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6,8-9,12H,4,7,10H2/b9-8+
InChIKeyTWUZYJZNILCLBS-CMDGGOBGSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine
CID 69201329
5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydrothiophene
CID 142853618
1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine
CID 10563534
2-(2-phenylethenyl)pyrrolidine
CID 3705120
(2R)-2-[(Z)-2-phenylethenyl]oxane
CID 135075421
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
(2R)-2-[(Z)-2-phenylethenyl]azepane
CID 97289892
1,3-dibenzyl-2-[(Z)-2-phenylethenyl]imidazolidine
CID 92896790
2-[(E)-2-phenylethenyl]cyclobutan-1-one
CID 131241395
[(E)-2-cyclopent-2-en-1-ylethenyl]benzene
CID 14358727
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]thiolane?
The IUPAC name of 2-[(E)-2-phenylethenyl]thiolane (CID 175715448) is 2-[(E)-2-phenylethenyl]thiolane.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]thiolane?
The canonical SMILES for 2-[(E)-2-phenylethenyl]thiolane is C(=C/C1CCCS1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]thiolane?
The InChIKey is TWUZYJZNILCLBS-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H14S/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6,8-9,12H,4,7,10H2/b9-8+.
What are the key properties of 2-[(E)-2-phenylethenyl]thiolane?
2-[(E)-2-phenylethenyl]thiolane has a molecular weight of 190.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]thiolane is sourced from PubChem (CID 175715448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).