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

C8H13N3S2 — CID 118016446

IUPAC2-methyl-4,6-bis(methylsulfanylmethyl)-1,3,5-triazine
SMILESCSCc1nc(C)nc(CSC)n1
InChIInChI=1S/C8H13N3S2/c1-6-9-7(4-12-2)11-8(10-6)5-13-3/h4-5H2,1-3H3
InChIKeyUHRSIIQVZBPRSJ-UHFFFAOYSA-N
MW215.35 g/mol
LogP1.91
Rot. Bonds4

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

2-methyl-4,6-bis(methylsulfanylmethyl)-1,3,5-triazine (PubChem CID 118016446) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is 2-methyl-4,6-bis(methylsulfanylmethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4,6-bis(methylsulfanylmethyl)-1,3,5-triazine
PubChem CID118016446
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC Name2-methyl-4,6-bis(methylsulfanylmethyl)-1,3,5-triazine
SMILESCSCc1nc(C)nc(CSC)n1
InChIInChI=1S/C8H13N3S2/c1-6-9-7(4-12-2)11-8(10-6)5-13-3/h4-5H2,1-3H3
InChIKeyUHRSIIQVZBPRSJ-UHFFFAOYSA-N
XLogP1.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-bis(methylsulfanylmethyl)-1,3,5-triazine?
The IUPAC name of 2-methyl-4,6-bis(methylsulfanylmethyl)-1,3,5-triazine (CID 118016446) is 2-methyl-4,6-bis(methylsulfanylmethyl)-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4,6-bis(methylsulfanylmethyl)-1,3,5-triazine?
The canonical SMILES for 2-methyl-4,6-bis(methylsulfanylmethyl)-1,3,5-triazine is CSCc1nc(C)nc(CSC)n1.
What is the InChIKey of 2-methyl-4,6-bis(methylsulfanylmethyl)-1,3,5-triazine?
The InChIKey is UHRSIIQVZBPRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c1-6-9-7(4-12-2)11-8(10-6)5-13-3/h4-5H2,1-3H3.
What are the key properties of 2-methyl-4,6-bis(methylsulfanylmethyl)-1,3,5-triazine?
2-methyl-4,6-bis(methylsulfanylmethyl)-1,3,5-triazine has a molecular weight of 215.35 g/mol, XLogP of 1.91, 4 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(methylsulfanylmethyl)-1,3,5-triazine is sourced from PubChem (CID 118016446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).