3,5-diphenyl-1,4,2-dithiazine

C15H11NS2 — CID 13048458

IUPAC3,5-diphenyl-1,4,2-dithiazine
SMILESC1=C(c2ccccc2)SC(c2ccccc2)=NS1
InChIInChI=1S/C15H11NS2/c1-3-7-12(8-4-1)14-11-17-16-15(18-14)13-9-5-2-6-10-13/h1-11H
InChIKeyDUFYNBQNCWYFLT-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.83
Rot. Bonds2

About 3,5-diphenyl-1,4,2-dithiazine

3,5-diphenyl-1,4,2-dithiazine (PubChem CID 13048458) has the molecular formula C15H11NS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3,5-diphenyl-1,4,2-dithiazine.

Molecular Properties

Compound Name3,5-diphenyl-1,4,2-dithiazine
PubChem CID13048458
Molecular FormulaC15H11NS2
Molecular Weight269.39 g/mol
Exact Mass269.03
IUPAC Name3,5-diphenyl-1,4,2-dithiazine
SMILESC1=C(c2ccccc2)SC(c2ccccc2)=NS1
InChIInChI=1S/C15H11NS2/c1-3-7-12(8-4-1)14-11-17-16-15(18-14)13-9-5-2-6-10-13/h1-11H
InChIKeyDUFYNBQNCWYFLT-UHFFFAOYSA-N
XLogP4.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dibenzyl sulfide
CID 10867
Thiazole, 4,5-dihydro-2-phenyl-
CID 200788
2,5-Diphenyl-1,4-dithiin
CID 245172
4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-phenyl-
CID 120429
Benzyl benzenecarboximidothioate
CID 3741661
Benzyl Benzodithioate
CID 11459208
Ethyl benzenecarboximidothioate
CID 408547
Phenyl benzenecarboximidothioate
CID 3347483
3-Methylsulfanyl-5,6-diphenyl-1,4,2-dithiazine
CID 353412
3-Phenyl-1,4,2-dithiazole-5-thione
CID 585528
2-Phenyl-5,6-dihydro-4h-1,3-thiazine
CID 241006
benzyl (E)-N-(trifluoromethyl)benzenecarboximidothioate
CID 176438469

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-1,4,2-dithiazine?
The IUPAC name of 3,5-diphenyl-1,4,2-dithiazine (CID 13048458) is 3,5-diphenyl-1,4,2-dithiazine.
What is the SMILES notation for 3,5-diphenyl-1,4,2-dithiazine?
The canonical SMILES for 3,5-diphenyl-1,4,2-dithiazine is C1=C(c2ccccc2)SC(c2ccccc2)=NS1.
What is the InChIKey of 3,5-diphenyl-1,4,2-dithiazine?
The InChIKey is DUFYNBQNCWYFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NS2/c1-3-7-12(8-4-1)14-11-17-16-15(18-14)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 3,5-diphenyl-1,4,2-dithiazine?
3,5-diphenyl-1,4,2-dithiazine has a molecular weight of 269.39 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-1,4,2-dithiazine is sourced from PubChem (CID 13048458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).