2,4-dibenzylidene-1,3-dithietane

C16H12S2 — CID 101088005

IUPAC2,4-dibenzylidene-1,3-dithietane
SMILESC(c1ccccc1)=c1sc(=Cc2ccccc2)s1
InChIInChI=1S/C16H12S2/c1-3-7-13(8-4-1)11-15-17-16(18-15)12-14-9-5-2-6-10-14/h1-12H/b15-11-,16-12+
InChIKeyCIBGYZQVNCFDMW-UKVBVZPVSA-N
MW268.41 g/mol
LogP3.47
Rot. Bonds2

About 2,4-dibenzylidene-1,3-dithietane

2,4-dibenzylidene-1,3-dithietane (PubChem CID 101088005) has the molecular formula C16H12S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 2,4-dibenzylidene-1,3-dithietane.

Molecular Properties

Compound Name2,4-dibenzylidene-1,3-dithietane
PubChem CID101088005
Molecular FormulaC16H12S2
Molecular Weight268.41 g/mol
Exact Mass268.04
IUPAC Name2,4-dibenzylidene-1,3-dithietane
SMILESC(c1ccccc1)=c1sc(=Cc2ccccc2)s1
InChIInChI=1S/C16H12S2/c1-3-7-13(8-4-1)11-15-17-16(18-15)12-14-9-5-2-6-10-14/h1-12H/b15-11-,16-12+
InChIKeyCIBGYZQVNCFDMW-UKVBVZPVSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibenzylidene-1,3-dithietane?
The IUPAC name of 2,4-dibenzylidene-1,3-dithietane (CID 101088005) is 2,4-dibenzylidene-1,3-dithietane.
What is the SMILES notation for 2,4-dibenzylidene-1,3-dithietane?
The canonical SMILES for 2,4-dibenzylidene-1,3-dithietane is C(c1ccccc1)=c1sc(=Cc2ccccc2)s1.
What is the InChIKey of 2,4-dibenzylidene-1,3-dithietane?
The InChIKey is CIBGYZQVNCFDMW-UKVBVZPVSA-N. The full InChI is InChI=1S/C16H12S2/c1-3-7-13(8-4-1)11-15-17-16(18-15)12-14-9-5-2-6-10-14/h1-12H/b15-11-,16-12+.
What are the key properties of 2,4-dibenzylidene-1,3-dithietane?
2,4-dibenzylidene-1,3-dithietane has a molecular weight of 268.41 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibenzylidene-1,3-dithietane is sourced from PubChem (CID 101088005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).