2,4-bis(methylsulfanyl)-6-(trichloromethyl)-1,3,5-triazine

C6H6Cl3N3S2 — CID 26981

IUPAC2,4-bis(methylsulfanyl)-6-(trichloromethyl)-1,3,5-triazine
SMILESCSc1nc(SC)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H6Cl3N3S2/c1-13-4-10-3(6(7,8)9)11-5(12-4)14-2/h1-2H3
InChIKeyIISWKUTVAHEUFZ-UHFFFAOYSA-N
MW290.63 g/mol
LogP3.14
Rot. Bonds2

About 2,4-bis(methylsulfanyl)-6-(trichloromethyl)-1,3,5-triazine

2,4-bis(methylsulfanyl)-6-(trichloromethyl)-1,3,5-triazine (PubChem CID 26981) has the molecular formula C6H6Cl3N3S2 and a molecular weight of 290.63 g/mol. Its IUPAC name is 2,4-bis(methylsulfanyl)-6-(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(methylsulfanyl)-6-(trichloromethyl)-1,3,5-triazine
PubChem CID26981
Molecular FormulaC6H6Cl3N3S2
Molecular Weight290.63 g/mol
Exact Mass288.91
IUPAC Name2,4-bis(methylsulfanyl)-6-(trichloromethyl)-1,3,5-triazine
SMILESCSc1nc(SC)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H6Cl3N3S2/c1-13-4-10-3(6(7,8)9)11-5(12-4)14-2/h1-2H3
InChIKeyIISWKUTVAHEUFZ-UHFFFAOYSA-N
XLogP3.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,4-bis(methylsulfanyl)-6-(trichloromethyl)-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-bis(methylsulfanyl)-6-(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(methylsulfanyl)-6-(trichloromethyl)-1,3,5-triazine (CID 26981) is 2,4-bis(methylsulfanyl)-6-(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(methylsulfanyl)-6-(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(methylsulfanyl)-6-(trichloromethyl)-1,3,5-triazine is CSc1nc(SC)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2,4-bis(methylsulfanyl)-6-(trichloromethyl)-1,3,5-triazine?
The InChIKey is IISWKUTVAHEUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl3N3S2/c1-13-4-10-3(6(7,8)9)11-5(12-4)14-2/h1-2H3.
What are the key properties of 2,4-bis(methylsulfanyl)-6-(trichloromethyl)-1,3,5-triazine?
2,4-bis(methylsulfanyl)-6-(trichloromethyl)-1,3,5-triazine has a molecular weight of 290.63 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(methylsulfanyl)-6-(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 26981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).