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

C8H17N3S — CID 70229989

IUPAC1,3-diethyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine
SMILESCCN1CN=C(SC)N(CC)C1
InChIInChI=1S/C8H17N3S/c1-4-10-6-9-8(12-3)11(5-2)7-10/h4-7H2,1-3H3
InChIKeyMLBCXMIPEYRHDE-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.28
Rot. Bonds2

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

1,3-diethyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine (PubChem CID 70229989) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is 1,3-diethyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name1,3-diethyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine
PubChem CID70229989
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC Name1,3-diethyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine
SMILESCCN1CN=C(SC)N(CC)C1
InChIInChI=1S/C8H17N3S/c1-4-10-6-9-8(12-3)11(5-2)7-10/h4-7H2,1-3H3
InChIKeyMLBCXMIPEYRHDE-UHFFFAOYSA-N
XLogP1.28
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine?
The IUPAC name of 1,3-diethyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine (CID 70229989) is 1,3-diethyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 1,3-diethyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine?
The canonical SMILES for 1,3-diethyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine is CCN1CN=C(SC)N(CC)C1.
What is the InChIKey of 1,3-diethyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine?
The InChIKey is MLBCXMIPEYRHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S/c1-4-10-6-9-8(12-3)11(5-2)7-10/h4-7H2,1-3H3.
What are the key properties of 1,3-diethyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine?
1,3-diethyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine has a molecular weight of 187.31 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 70229989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).