2-(4-prop-2-enoxyphenyl)-1,3-dithiolane

C12H14OS2 — CID 11230160

IUPAC2-(4-prop-2-enoxyphenyl)-1,3-dithiolane
SMILESC=CCOc1ccc(C2SCCS2)cc1
InChIInChI=1S/C12H14OS2/c1-2-7-13-11-5-3-10(4-6-11)12-14-8-9-15-12/h2-6,12H,1,7-9H2
InChIKeyGKMRLIKJOZIPHS-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.73
Rot. Bonds4

About 2-(4-prop-2-enoxyphenyl)-1,3-dithiolane

2-(4-prop-2-enoxyphenyl)-1,3-dithiolane (PubChem CID 11230160) has the molecular formula C12H14OS2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-(4-prop-2-enoxyphenyl)-1,3-dithiolane.

Molecular Properties

Compound Name2-(4-prop-2-enoxyphenyl)-1,3-dithiolane
PubChem CID11230160
Molecular FormulaC12H14OS2
Molecular Weight238.38 g/mol
Exact Mass238.05
IUPAC Name2-(4-prop-2-enoxyphenyl)-1,3-dithiolane
SMILESC=CCOc1ccc(C2SCCS2)cc1
InChIInChI=1S/C12H14OS2/c1-2-7-13-11-5-3-10(4-6-11)12-14-8-9-15-12/h2-6,12H,1,7-9H2
InChIKeyGKMRLIKJOZIPHS-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-prop-2-enoxyphenyl)aziridine
CID 55263639
2-(4-methoxyphenyl)-1,3-dithiolane
CID 23175
1-cyclopent-2-en-1-yl-4-prop-2-enoxybenzene
CID 3027235
N-[(4-prop-2-enoxyphenyl)methyl]thian-4-amine
CID 115615614
1-(bromomethoxy)-4-prop-2-enoxybenzene
CID 23452925
1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene
CID 89211050
4-methyl-2-(4-prop-2-enoxyphenyl)-1,3-dioxolane
CID 123516805
2-[[4-(1,3-dithian-2-yl)phenoxy]methyl]-2-methyl-1,3-dithiane
CID 101433893
1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene
CID 22556356
N-[(4-prop-2-enoxyphenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295418
CID 174846151
CID 174846151
1-bromo-4-(4-prop-2-enoxyphenyl)benzene
CID 71426317

Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-2-enoxyphenyl)-1,3-dithiolane?
The IUPAC name of 2-(4-prop-2-enoxyphenyl)-1,3-dithiolane (CID 11230160) is 2-(4-prop-2-enoxyphenyl)-1,3-dithiolane.
What is the SMILES notation for 2-(4-prop-2-enoxyphenyl)-1,3-dithiolane?
The canonical SMILES for 2-(4-prop-2-enoxyphenyl)-1,3-dithiolane is C=CCOc1ccc(C2SCCS2)cc1.
What is the InChIKey of 2-(4-prop-2-enoxyphenyl)-1,3-dithiolane?
The InChIKey is GKMRLIKJOZIPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS2/c1-2-7-13-11-5-3-10(4-6-11)12-14-8-9-15-12/h2-6,12H,1,7-9H2.
What are the key properties of 2-(4-prop-2-enoxyphenyl)-1,3-dithiolane?
2-(4-prop-2-enoxyphenyl)-1,3-dithiolane has a molecular weight of 238.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-2-enoxyphenyl)-1,3-dithiolane is sourced from PubChem (CID 11230160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).