2-[(E)-2-phenylethenyl]-1,3-dithiane

C12H14S2 — CID 5372969

IUPAC2-[(E)-2-phenylethenyl]-1,3-dithiane
SMILESC(=C/C1SCCCS1)\c1ccccc1
InChIInChI=1S/C12H14S2/c1-2-5-11(6-3-1)7-8-12-13-9-4-10-14-12/h1-3,5-8,12H,4,9-10H2/b8-7+
InChIKeyUOZNYAIYXGTVKD-BQYQJAHWSA-N
MW222.38 g/mol
LogP3.90
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]-1,3-dithiane

2-[(E)-2-phenylethenyl]-1,3-dithiane (PubChem CID 5372969) has the molecular formula C12H14S2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-1,3-dithiane.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-1,3-dithiane
PubChem CID5372969
Molecular FormulaC12H14S2
Molecular Weight222.38 g/mol
Exact Mass222.05
IUPAC Name2-[(E)-2-phenylethenyl]-1,3-dithiane
SMILESC(=C/C1SCCCS1)\c1ccccc1
InChIInChI=1S/C12H14S2/c1-2-5-11(6-3-1)7-8-12-13-9-4-10-14-12/h1-3,5-8,12H,4,9-10H2/b8-7+
InChIKeyUOZNYAIYXGTVKD-BQYQJAHWSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-1,3-dithiane?
The IUPAC name of 2-[(E)-2-phenylethenyl]-1,3-dithiane (CID 5372969) is 2-[(E)-2-phenylethenyl]-1,3-dithiane.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-1,3-dithiane?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-1,3-dithiane is C(=C/C1SCCCS1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-1,3-dithiane?
The InChIKey is UOZNYAIYXGTVKD-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H14S2/c1-2-5-11(6-3-1)7-8-12-13-9-4-10-14-12/h1-3,5-8,12H,4,9-10H2/b8-7+.
What are the key properties of 2-[(E)-2-phenylethenyl]-1,3-dithiane?
2-[(E)-2-phenylethenyl]-1,3-dithiane has a molecular weight of 222.38 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-1,3-dithiane is sourced from PubChem (CID 5372969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).