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

C11H12S2 — CID 6433440

IUPAC2-[(E)-2-phenylethenyl]-1,3-dithiolane
SMILESC(=C/C1SCCS1)\c1ccccc1
InChIInChI=1S/C11H12S2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2/b7-6+
InChIKeyITTGPONHZMGPAN-VOTSOKGWSA-N
MW208.35 g/mol
LogP3.51
Rot. Bonds2

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

2-[(E)-2-phenylethenyl]-1,3-dithiolane (PubChem CID 6433440) has the molecular formula C11H12S2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-1,3-dithiolane.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-1,3-dithiolane
PubChem CID6433440
Molecular FormulaC11H12S2
Molecular Weight208.35 g/mol
Exact Mass208.04
IUPAC Name2-[(E)-2-phenylethenyl]-1,3-dithiolane
SMILESC(=C/C1SCCS1)\c1ccccc1
InChIInChI=1S/C11H12S2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2/b7-6+
InChIKeyITTGPONHZMGPAN-VOTSOKGWSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.51
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-dithiolane?
The IUPAC name of 2-[(E)-2-phenylethenyl]-1,3-dithiolane (CID 6433440) is 2-[(E)-2-phenylethenyl]-1,3-dithiolane.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-1,3-dithiolane?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-1,3-dithiolane is C(=C/C1SCCS1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-1,3-dithiolane?
The InChIKey is ITTGPONHZMGPAN-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H12S2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2/b7-6+.
What are the key properties of 2-[(E)-2-phenylethenyl]-1,3-dithiolane?
2-[(E)-2-phenylethenyl]-1,3-dithiolane has a molecular weight of 208.35 g/mol, XLogP of 3.51, 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-dithiolane is sourced from PubChem (CID 6433440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).