4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine

C8H14N4S2 — CID 70472300

IUPAC4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
SMILESCCSc1nc(NC)nc(SCC)n1
InChIInChI=1S/C8H14N4S2/c1-4-13-7-10-6(9-3)11-8(12-7)14-5-2/h4-5H2,1-3H3,(H,9,10,11,12)
InChIKeyFRISTGIHAIZYBG-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.14
Rot. Bonds5

About 4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine

4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 70472300) has the molecular formula C8H14N4S2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
PubChem CID70472300
Molecular FormulaC8H14N4S2
Molecular Weight230.36 g/mol
Exact Mass230.07
IUPAC Name4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
SMILESCCSc1nc(NC)nc(SCC)n1
InChIInChI=1S/C8H14N4S2/c1-4-13-7-10-6(9-3)11-8(12-7)14-5-2/h4-5H2,1-3H3,(H,9,10,11,12)
InChIKeyFRISTGIHAIZYBG-UHFFFAOYSA-N
XLogP2.14
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine (CID 70472300) is 4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine is CCSc1nc(NC)nc(SCC)n1.
What is the InChIKey of 4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is FRISTGIHAIZYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S2/c1-4-13-7-10-6(9-3)11-8(12-7)14-5-2/h4-5H2,1-3H3,(H,9,10,11,12).
What are the key properties of 4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 230.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 70472300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).