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

C6H9N3S2 — CID 21422

IUPAC2-methyl-4,6-bis(methylsulfanyl)-1,3,5-triazine
SMILESCSc1nc(C)nc(SC)n1
InChIInChI=1S/C6H9N3S2/c1-4-7-5(10-2)9-6(8-4)11-3/h1-3H3
InChIKeyVYKOVZRWRPPVOT-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.62
Rot. Bonds2

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

2-methyl-4,6-bis(methylsulfanyl)-1,3,5-triazine (PubChem CID 21422) has the molecular formula C6H9N3S2 and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-methyl-4,6-bis(methylsulfanyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4,6-bis(methylsulfanyl)-1,3,5-triazine
PubChem CID21422
Molecular FormulaC6H9N3S2
Molecular Weight187.29 g/mol
Exact Mass187.02
IUPAC Name2-methyl-4,6-bis(methylsulfanyl)-1,3,5-triazine
SMILESCSc1nc(C)nc(SC)n1
InChIInChI=1S/C6H9N3S2/c1-4-7-5(10-2)9-6(8-4)11-3/h1-3H3
InChIKeyVYKOVZRWRPPVOT-UHFFFAOYSA-N
XLogP1.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4,6-bis(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-methyl-4,6-bis(methylsulfanyl)-1,3,5-triazine?
The IUPAC name of 2-methyl-4,6-bis(methylsulfanyl)-1,3,5-triazine (CID 21422) is 2-methyl-4,6-bis(methylsulfanyl)-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4,6-bis(methylsulfanyl)-1,3,5-triazine?
The canonical SMILES for 2-methyl-4,6-bis(methylsulfanyl)-1,3,5-triazine is CSc1nc(C)nc(SC)n1.
What is the InChIKey of 2-methyl-4,6-bis(methylsulfanyl)-1,3,5-triazine?
The InChIKey is VYKOVZRWRPPVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S2/c1-4-7-5(10-2)9-6(8-4)11-3/h1-3H3.
What are the key properties of 2-methyl-4,6-bis(methylsulfanyl)-1,3,5-triazine?
2-methyl-4,6-bis(methylsulfanyl)-1,3,5-triazine has a molecular weight of 187.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-bis(methylsulfanyl)-1,3,5-triazine is sourced from PubChem (CID 21422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).