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

C4H3Cl2N3S — CID 26202

IUPAC2,4-dichloro-6-methylsulfanyl-1,3,5-triazine
SMILESCSc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C4H3Cl2N3S/c1-10-4-8-2(5)7-3(6)9-4/h1H3
InChIKeyMWPZLWRHHPWTFS-UHFFFAOYSA-N
MW196.06 g/mol
LogP1.90
Rot. Bonds1

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

2,4-dichloro-6-methylsulfanyl-1,3,5-triazine (PubChem CID 26202) has the molecular formula C4H3Cl2N3S and a molecular weight of 196.06 g/mol. Its IUPAC name is 2,4-dichloro-6-methylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-methylsulfanyl-1,3,5-triazine
PubChem CID26202
Molecular FormulaC4H3Cl2N3S
Molecular Weight196.06 g/mol
Exact Mass194.94
IUPAC Name2,4-dichloro-6-methylsulfanyl-1,3,5-triazine
SMILESCSc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C4H3Cl2N3S/c1-10-4-8-2(5)7-3(6)9-4/h1H3
InChIKeyMWPZLWRHHPWTFS-UHFFFAOYSA-N
XLogP1.90
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.06
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-6-methylsulfanyl-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-methylsulfanyl-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-methylsulfanyl-1,3,5-triazine (CID 26202) is 2,4-dichloro-6-methylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-methylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-methylsulfanyl-1,3,5-triazine is CSc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-methylsulfanyl-1,3,5-triazine?
The InChIKey is MWPZLWRHHPWTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl2N3S/c1-10-4-8-2(5)7-3(6)9-4/h1H3.
What are the key properties of 2,4-dichloro-6-methylsulfanyl-1,3,5-triazine?
2,4-dichloro-6-methylsulfanyl-1,3,5-triazine has a molecular weight of 196.06 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 26202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).