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

C8H13N3S — CID 19706

IUPAC2,4-diethyl-6-methylsulfanyl-1,3,5-triazine
SMILESCCc1nc(CC)nc(SC)n1
InChIInChI=1S/C8H13N3S/c1-4-6-9-7(5-2)11-8(10-6)12-3/h4-5H2,1-3H3
InChIKeyYQIJFDPXOCAWIT-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.72
Rot. Bonds3

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

2,4-diethyl-6-methylsulfanyl-1,3,5-triazine (PubChem CID 19706) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2,4-diethyl-6-methylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diethyl-6-methylsulfanyl-1,3,5-triazine
PubChem CID19706
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2,4-diethyl-6-methylsulfanyl-1,3,5-triazine
SMILESCCc1nc(CC)nc(SC)n1
InChIInChI=1S/C8H13N3S/c1-4-6-9-7(5-2)11-8(10-6)12-3/h4-5H2,1-3H3
InChIKeyYQIJFDPXOCAWIT-UHFFFAOYSA-N
XLogP1.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-Triazin-2-amine, 4-methyl-6-(methylthio)-
CID 214051
4-(Methylsulfanyl)-6-(propan-2-yl)-1,3,5-triazin-2-amine
CID 2782086
2,4,6-Triethyltriazine
CID 13889
1,3,5-Triazin-2-amine, 4-ethyl-N-methyl-6-(methylthio)-
CID 3044745
4-Ethyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine
CID 66490758
2,4-Dimethyl-6-methylsulfanyl-1,3,5-triazine
CID 19545
2-Methyl-4,6-bis(methylsulfanyl)-1,3,5-triazine
CID 21422
ethyl 6(methyl thio)-S-triazine
CID 21851061
4-(2-Fluoropropan-2-yl)-6-(methylthio)-1,3,5-triazin-2-amine
CID 11275703
4-(1-Fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 15430911
2-Amino-4-methylthio-6-(1-fluoroethyl)-1,3,5-triazine
CID 22244965
4-(Tert-butyl)-6-(methylthio)-1,3,5-triazin-2-amine
CID 2782087

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-6-methylsulfanyl-1,3,5-triazine?
The IUPAC name of 2,4-diethyl-6-methylsulfanyl-1,3,5-triazine (CID 19706) is 2,4-diethyl-6-methylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2,4-diethyl-6-methylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2,4-diethyl-6-methylsulfanyl-1,3,5-triazine is CCc1nc(CC)nc(SC)n1.
What is the InChIKey of 2,4-diethyl-6-methylsulfanyl-1,3,5-triazine?
The InChIKey is YQIJFDPXOCAWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-4-6-9-7(5-2)11-8(10-6)12-3/h4-5H2,1-3H3.
What are the key properties of 2,4-diethyl-6-methylsulfanyl-1,3,5-triazine?
2,4-diethyl-6-methylsulfanyl-1,3,5-triazine has a molecular weight of 183.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-6-methylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 19706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).