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

C17H16S2 — CID 11346649

IUPAC2-phenyl-2-[(E)-2-phenylethenyl]-1,3-dithiolane
SMILESC(=C/C1(c2ccccc2)SCCS1)\c1ccccc1
InChIInChI=1S/C17H16S2/c1-3-7-15(8-4-1)11-12-17(18-13-14-19-17)16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+
InChIKeyXNUPFJCITDHRAQ-VAWYXSNFSA-N
MW284.45 g/mol
LogP5.03
Rot. Bonds3

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

2-phenyl-2-[(E)-2-phenylethenyl]-1,3-dithiolane (PubChem CID 11346649) has the molecular formula C17H16S2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-phenyl-2-[(E)-2-phenylethenyl]-1,3-dithiolane.

Molecular Properties

Compound Name2-phenyl-2-[(E)-2-phenylethenyl]-1,3-dithiolane
PubChem CID11346649
Molecular FormulaC17H16S2
Molecular Weight284.45 g/mol
Exact Mass284.07
IUPAC Name2-phenyl-2-[(E)-2-phenylethenyl]-1,3-dithiolane
SMILESC(=C/C1(c2ccccc2)SCCS1)\c1ccccc1
InChIInChI=1S/C17H16S2/c1-3-7-15(8-4-1)11-12-17(18-13-14-19-17)16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+
InChIKeyXNUPFJCITDHRAQ-VAWYXSNFSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-2-[(E)-2-phenylethenyl]-1,3-dithiolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane
CID 11469817
1-[(E)-2-phenylethenyl]cyclopropan-1-ol
CID 15686065
1-[3,5-diphenyl-7-[(E)-2-phenylethenyl]-1-adamantyl]-3,5-diphenyl-7-[(E)-2-phenylethenyl]adamantane
CID 173113756
CID 70567885
CID 70567885
CID 70569152
CID 70569152
CID 154707954
CID 154707954
4-bromo-2-(4-phenylbuta-1,3-dienyl)-2-(3,4,5-trimethoxyphenyl)-1,3-dithiane
CID 175919635
pyrrolidine-2,5-dione;stilbene
CID 70488570
2-phenyl-2-(2-phenylethenyl)-1H-naphthalene
CID 57066926
4-phenylbuta-1,3-dienylbenzene
CID 162273071
hydride;rubidium(1+);stilbene
CID 173437843
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(E)-2-phenylethenyl]-1,3-dithiolane?
The IUPAC name of 2-phenyl-2-[(E)-2-phenylethenyl]-1,3-dithiolane (CID 11346649) is 2-phenyl-2-[(E)-2-phenylethenyl]-1,3-dithiolane.
What is the SMILES notation for 2-phenyl-2-[(E)-2-phenylethenyl]-1,3-dithiolane?
The canonical SMILES for 2-phenyl-2-[(E)-2-phenylethenyl]-1,3-dithiolane is C(=C/C1(c2ccccc2)SCCS1)\c1ccccc1.
What is the InChIKey of 2-phenyl-2-[(E)-2-phenylethenyl]-1,3-dithiolane?
The InChIKey is XNUPFJCITDHRAQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H16S2/c1-3-7-15(8-4-1)11-12-17(18-13-14-19-17)16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+.
What are the key properties of 2-phenyl-2-[(E)-2-phenylethenyl]-1,3-dithiolane?
2-phenyl-2-[(E)-2-phenylethenyl]-1,3-dithiolane has a molecular weight of 284.45 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(E)-2-phenylethenyl]-1,3-dithiolane is sourced from PubChem (CID 11346649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).