2,6-diphenyl-1,4-dithiane

C16H16S2 — CID 15501260

IUPAC2,6-diphenyl-1,4-dithiane
SMILESc1ccc(C2CSCC(c3ccccc3)S2)cc1
InChIInChI=1S/C16H16S2/c1-3-7-13(8-4-1)15-11-17-12-16(18-15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyYYAKQLJLPMAARD-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.95
Rot. Bonds2

About 2,6-diphenyl-1,4-dithiane

2,6-diphenyl-1,4-dithiane (PubChem CID 15501260) has the molecular formula C16H16S2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2,6-diphenyl-1,4-dithiane.

Molecular Properties

Compound Name2,6-diphenyl-1,4-dithiane
PubChem CID15501260
Molecular FormulaC16H16S2
Molecular Weight272.44 g/mol
Exact Mass272.07
IUPAC Name2,6-diphenyl-1,4-dithiane
SMILESc1ccc(C2CSCC(c3ccccc3)S2)cc1
InChIInChI=1S/C16H16S2/c1-3-7-13(8-4-1)15-11-17-12-16(18-15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyYYAKQLJLPMAARD-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6S)-2,6-diphenylthiane
CID 7065629
2-(4-methylphenyl)-5-phenylthiolane
CID 58161404
3,5-diphenylthiolan-2-ol
CID 144931057
5-phenylthiolane-2-thione
CID 11095521
2-(4-methylphenyl)-6-phenylthian-4-one
CID 3691467
2-methyl-4-phenyl-1,3,2-dithialumolane
CID 153438524
5-phenylthiolane-2-carboxylic acid
CID 146504602
6-phenylthiane-2-thione
CID 100945824
(3R,4R)-4-phenylthiolane-3-carboxylic acid
CID 101058363
(3S,4aR,8aS)-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isothiochromene
CID 11905188
(2S,4aR,8aS)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
CID 11864427
4-phenylthiane
CID 601191

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-1,4-dithiane?
The IUPAC name of 2,6-diphenyl-1,4-dithiane (CID 15501260) is 2,6-diphenyl-1,4-dithiane.
What is the SMILES notation for 2,6-diphenyl-1,4-dithiane?
The canonical SMILES for 2,6-diphenyl-1,4-dithiane is c1ccc(C2CSCC(c3ccccc3)S2)cc1.
What is the InChIKey of 2,6-diphenyl-1,4-dithiane?
The InChIKey is YYAKQLJLPMAARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16S2/c1-3-7-13(8-4-1)15-11-17-12-16(18-15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2.
What are the key properties of 2,6-diphenyl-1,4-dithiane?
2,6-diphenyl-1,4-dithiane has a molecular weight of 272.44 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-1,4-dithiane is sourced from PubChem (CID 15501260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).