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

C9H13Cl2N3S — CID 148637159

IUPAC2,4-dichloro-6-hexylsulfanyl-1,3,5-triazine
SMILESCCCCCCSc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H13Cl2N3S/c1-2-3-4-5-6-15-9-13-7(10)12-8(11)14-9/h2-6H2,1H3
InChIKeyNJHJWKCLZUADHE-UHFFFAOYSA-N
MW266.20 g/mol
LogP3.85
Rot. Bonds6

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

2,4-dichloro-6-hexylsulfanyl-1,3,5-triazine (PubChem CID 148637159) has the molecular formula C9H13Cl2N3S and a molecular weight of 266.20 g/mol. Its IUPAC name is 2,4-dichloro-6-hexylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-hexylsulfanyl-1,3,5-triazine
PubChem CID148637159
Molecular FormulaC9H13Cl2N3S
Molecular Weight266.20 g/mol
Exact Mass265.02
IUPAC Name2,4-dichloro-6-hexylsulfanyl-1,3,5-triazine
SMILESCCCCCCSc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H13Cl2N3S/c1-2-3-4-5-6-15-9-13-7(10)12-8(11)14-9/h2-6H2,1H3
InChIKeyNJHJWKCLZUADHE-UHFFFAOYSA-N
XLogP3.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 53.85
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-hexylsulfanyl-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-hexylsulfanyl-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-hexylsulfanyl-1,3,5-triazine (CID 148637159) is 2,4-dichloro-6-hexylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-hexylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-hexylsulfanyl-1,3,5-triazine is CCCCCCSc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-hexylsulfanyl-1,3,5-triazine?
The InChIKey is NJHJWKCLZUADHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N3S/c1-2-3-4-5-6-15-9-13-7(10)12-8(11)14-9/h2-6H2,1H3.
What are the key properties of 2,4-dichloro-6-hexylsulfanyl-1,3,5-triazine?
2,4-dichloro-6-hexylsulfanyl-1,3,5-triazine has a molecular weight of 266.20 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-hexylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 148637159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).