2,4,6-tris(4-methylphenyl)-1,3,5-dithiazinane

C24H25NS2 — CID 13113995

IUPAC2,4,6-tris(4-methylphenyl)-1,3,5-dithiazinane
SMILESCc1ccc(C2NC(c3ccc(C)cc3)SC(c3ccc(C)cc3)S2)cc1
InChIInChI=1S/C24H25NS2/c1-16-4-10-19(11-5-16)22-25-23(20-12-6-17(2)7-13-20)27-24(26-22)21-14-8-18(3)9-15-21/h4-15,22-25H,1-3H3
InChIKeyFBUZNSZLPCEYDE-UHFFFAOYSA-N
MW391.61 g/mol
LogP7.08
Rot. Bonds3

About 2,4,6-tris(4-methylphenyl)-1,3,5-dithiazinane

2,4,6-tris(4-methylphenyl)-1,3,5-dithiazinane (PubChem CID 13113995) has the molecular formula C24H25NS2 and a molecular weight of 391.61 g/mol. Its IUPAC name is 2,4,6-tris(4-methylphenyl)-1,3,5-dithiazinane.

Molecular Properties

Compound Name2,4,6-tris(4-methylphenyl)-1,3,5-dithiazinane
PubChem CID13113995
Molecular FormulaC24H25NS2
Molecular Weight391.61 g/mol
Exact Mass391.14
IUPAC Name2,4,6-tris(4-methylphenyl)-1,3,5-dithiazinane
SMILESCc1ccc(C2NC(c3ccc(C)cc3)SC(c3ccc(C)cc3)S2)cc1
InChIInChI=1S/C24H25NS2/c1-16-4-10-19(11-5-16)22-25-23(20-12-6-17(2)7-13-20)27-24(26-22)21-14-8-18(3)9-15-21/h4-15,22-25H,1-3H3
InChIKeyFBUZNSZLPCEYDE-UHFFFAOYSA-N
XLogP7.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.61
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(4-methylphenyl)-1,3,5-dithiazinane?
The IUPAC name of 2,4,6-tris(4-methylphenyl)-1,3,5-dithiazinane (CID 13113995) is 2,4,6-tris(4-methylphenyl)-1,3,5-dithiazinane.
What is the SMILES notation for 2,4,6-tris(4-methylphenyl)-1,3,5-dithiazinane?
The canonical SMILES for 2,4,6-tris(4-methylphenyl)-1,3,5-dithiazinane is Cc1ccc(C2NC(c3ccc(C)cc3)SC(c3ccc(C)cc3)S2)cc1.
What is the InChIKey of 2,4,6-tris(4-methylphenyl)-1,3,5-dithiazinane?
The InChIKey is FBUZNSZLPCEYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NS2/c1-16-4-10-19(11-5-16)22-25-23(20-12-6-17(2)7-13-20)27-24(26-22)21-14-8-18(3)9-15-21/h4-15,22-25H,1-3H3.
What are the key properties of 2,4,6-tris(4-methylphenyl)-1,3,5-dithiazinane?
2,4,6-tris(4-methylphenyl)-1,3,5-dithiazinane has a molecular weight of 391.61 g/mol, XLogP of 7.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(4-methylphenyl)-1,3,5-dithiazinane is sourced from PubChem (CID 13113995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).