(E)-1,2-diphenylethene-1,2-dithiolate

C14H10S2-2 — CID 102075609

IUPAC(E)-1,2-diphenylethene-1,2-dithiolate
SMILES[S-]/C(=C(/[S-])c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12S2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,15-16H/p-2/b14-13+
InChIKeyHNQWTAFLMHBOSS-BUHFOSPRSA-L
MW242.37 g/mol
LogP3.61
Rot. Bonds2

About (E)-1,2-diphenylethene-1,2-dithiolate

(E)-1,2-diphenylethene-1,2-dithiolate (PubChem CID 102075609) has the molecular formula C14H10S2-2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (E)-1,2-diphenylethene-1,2-dithiolate.

Molecular Properties

Compound Name(E)-1,2-diphenylethene-1,2-dithiolate
PubChem CID102075609
Molecular FormulaC14H10S2-2
Molecular Weight242.37 g/mol
Exact Mass242.02
IUPAC Name(E)-1,2-diphenylethene-1,2-dithiolate
SMILES[S-]/C(=C(/[S-])c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12S2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,15-16H/p-2/b14-13+
InChIKeyHNQWTAFLMHBOSS-BUHFOSPRSA-L
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,2-diphenylethene-1,2-dithiolate?
The IUPAC name of (E)-1,2-diphenylethene-1,2-dithiolate (CID 102075609) is (E)-1,2-diphenylethene-1,2-dithiolate.
What is the SMILES notation for (E)-1,2-diphenylethene-1,2-dithiolate?
The canonical SMILES for (E)-1,2-diphenylethene-1,2-dithiolate is [S-]/C(=C(/[S-])c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1,2-diphenylethene-1,2-dithiolate?
The InChIKey is HNQWTAFLMHBOSS-BUHFOSPRSA-L. The full InChI is InChI=1S/C14H12S2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,15-16H/p-2/b14-13+.
What are the key properties of (E)-1,2-diphenylethene-1,2-dithiolate?
(E)-1,2-diphenylethene-1,2-dithiolate has a molecular weight of 242.37 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-diphenylethene-1,2-dithiolate is sourced from PubChem (CID 102075609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).