4,6-diphenyl-1,3-thiazine-2-thione

C16H11NS2 — CID 12789450

IUPAC4,6-diphenyl-1,3-thiazine-2-thione
SMILESS=c1nc(-c2ccccc2)cc(-c2ccccc2)s1
InChIInChI=1S/C16H11NS2/c18-16-17-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H
InChIKeyXJUVEWADHSDHPV-UHFFFAOYSA-N
MW281.41 g/mol
LogP5.21
Rot. Bonds2

About 4,6-diphenyl-1,3-thiazine-2-thione

4,6-diphenyl-1,3-thiazine-2-thione (PubChem CID 12789450) has the molecular formula C16H11NS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 4,6-diphenyl-1,3-thiazine-2-thione.

Molecular Properties

Compound Name4,6-diphenyl-1,3-thiazine-2-thione
PubChem CID12789450
Molecular FormulaC16H11NS2
Molecular Weight281.41 g/mol
Exact Mass281.03
IUPAC Name4,6-diphenyl-1,3-thiazine-2-thione
SMILESS=c1nc(-c2ccccc2)cc(-c2ccccc2)s1
InChIInChI=1S/C16H11NS2/c18-16-17-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H
InChIKeyXJUVEWADHSDHPV-UHFFFAOYSA-N
XLogP5.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.41
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-1,3-thiazine-2-thione?
The IUPAC name of 4,6-diphenyl-1,3-thiazine-2-thione (CID 12789450) is 4,6-diphenyl-1,3-thiazine-2-thione.
What is the SMILES notation for 4,6-diphenyl-1,3-thiazine-2-thione?
The canonical SMILES for 4,6-diphenyl-1,3-thiazine-2-thione is S=c1nc(-c2ccccc2)cc(-c2ccccc2)s1.
What is the InChIKey of 4,6-diphenyl-1,3-thiazine-2-thione?
The InChIKey is XJUVEWADHSDHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NS2/c18-16-17-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 4,6-diphenyl-1,3-thiazine-2-thione?
4,6-diphenyl-1,3-thiazine-2-thione has a molecular weight of 281.41 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-1,3-thiazine-2-thione is sourced from PubChem (CID 12789450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).