2,4-dichloro-6-decylsulfanyl-1,3,5-triazine

C13H21Cl2N3S — CID 118916392

IUPAC2,4-dichloro-6-decylsulfanyl-1,3,5-triazine
SMILESCCCCCCCCCCSc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C13H21Cl2N3S/c1-2-3-4-5-6-7-8-9-10-19-13-17-11(14)16-12(15)18-13/h2-10H2,1H3
InChIKeyJMEOLFGLZUCSDS-UHFFFAOYSA-N
MW322.31 g/mol
LogP5.41
Rot. Bonds10

About 2,4-dichloro-6-decylsulfanyl-1,3,5-triazine

2,4-dichloro-6-decylsulfanyl-1,3,5-triazine (PubChem CID 118916392) has the molecular formula C13H21Cl2N3S and a molecular weight of 322.31 g/mol. Its IUPAC name is 2,4-dichloro-6-decylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-decylsulfanyl-1,3,5-triazine
PubChem CID118916392
Molecular FormulaC13H21Cl2N3S
Molecular Weight322.31 g/mol
Exact Mass321.08
IUPAC Name2,4-dichloro-6-decylsulfanyl-1,3,5-triazine
SMILESCCCCCCCCCCSc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C13H21Cl2N3S/c1-2-3-4-5-6-7-8-9-10-19-13-17-11(14)16-12(15)18-13/h2-10H2,1H3
InChIKeyJMEOLFGLZUCSDS-UHFFFAOYSA-N
XLogP5.41
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.31
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-6-decylsulfanyl-1,3,5-triazine 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 2,4-dichloro-6-decylsulfanyl-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-decylsulfanyl-1,3,5-triazine (CID 118916392) is 2,4-dichloro-6-decylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-decylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-decylsulfanyl-1,3,5-triazine is CCCCCCCCCCSc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-decylsulfanyl-1,3,5-triazine?
The InChIKey is JMEOLFGLZUCSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21Cl2N3S/c1-2-3-4-5-6-7-8-9-10-19-13-17-11(14)16-12(15)18-13/h2-10H2,1H3.
What are the key properties of 2,4-dichloro-6-decylsulfanyl-1,3,5-triazine?
2,4-dichloro-6-decylsulfanyl-1,3,5-triazine has a molecular weight of 322.31 g/mol, XLogP of 5.41, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-decylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 118916392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).