4,6-bis(phenylsulfanyl)-1,3,5-triazine-2-carbonitrile

C16H10N4S2 — CID 582402

IUPAC4,6-bis(phenylsulfanyl)-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(Sc2ccccc2)nc(Sc2ccccc2)n1
InChIInChI=1S/C16H10N4S2/c17-11-14-18-15(21-12-7-3-1-4-8-12)20-16(19-14)22-13-9-5-2-6-10-13/h1-10H
InChIKeyTUWXPPIAEABCNP-UHFFFAOYSA-N
MW322.42 g/mol
LogP4.05
Rot. Bonds4

About 4,6-bis(phenylsulfanyl)-1,3,5-triazine-2-carbonitrile

4,6-bis(phenylsulfanyl)-1,3,5-triazine-2-carbonitrile (PubChem CID 582402) has the molecular formula C16H10N4S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 4,6-bis(phenylsulfanyl)-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4,6-bis(phenylsulfanyl)-1,3,5-triazine-2-carbonitrile
PubChem CID582402
Molecular FormulaC16H10N4S2
Molecular Weight322.42 g/mol
Exact Mass322.03
IUPAC Name4,6-bis(phenylsulfanyl)-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(Sc2ccccc2)nc(Sc2ccccc2)n1
InChIInChI=1S/C16H10N4S2/c17-11-14-18-15(21-12-7-3-1-4-8-12)20-16(19-14)22-13-9-5-2-6-10-13/h1-10H
InChIKeyTUWXPPIAEABCNP-UHFFFAOYSA-N
XLogP4.05
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,6-bis(phenylsulfanyl)-1,3,5-triazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(phenylsulfanyl)-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4,6-bis(phenylsulfanyl)-1,3,5-triazine-2-carbonitrile (CID 582402) is 4,6-bis(phenylsulfanyl)-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4,6-bis(phenylsulfanyl)-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4,6-bis(phenylsulfanyl)-1,3,5-triazine-2-carbonitrile is N#Cc1nc(Sc2ccccc2)nc(Sc2ccccc2)n1.
What is the InChIKey of 4,6-bis(phenylsulfanyl)-1,3,5-triazine-2-carbonitrile?
The InChIKey is TUWXPPIAEABCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4S2/c17-11-14-18-15(21-12-7-3-1-4-8-12)20-16(19-14)22-13-9-5-2-6-10-13/h1-10H.
What are the key properties of 4,6-bis(phenylsulfanyl)-1,3,5-triazine-2-carbonitrile?
4,6-bis(phenylsulfanyl)-1,3,5-triazine-2-carbonitrile has a molecular weight of 322.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(phenylsulfanyl)-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 582402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).