4-methylsulfanyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine

C11H12N4S2 — CID 2746149

IUPAC4-methylsulfanyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CSc2ccccc2)n1
InChIInChI=1S/C11H12N4S2/c1-16-11-14-9(13-10(12)15-11)7-17-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,14,15)
InChIKeyWAHBERJHGGKKFV-UHFFFAOYSA-N
MW264.38 g/mol
LogP2.47
Rot. Bonds4

About 4-methylsulfanyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine

4-methylsulfanyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine (PubChem CID 2746149) has the molecular formula C11H12N4S2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine
PubChem CID2746149
Molecular FormulaC11H12N4S2
Molecular Weight264.38 g/mol
Exact Mass264.05
IUPAC Name4-methylsulfanyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CSc2ccccc2)n1
InChIInChI=1S/C11H12N4S2/c1-16-11-14-9(13-10(12)15-11)7-17-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,14,15)
InChIKeyWAHBERJHGGKKFV-UHFFFAOYSA-N
XLogP2.47
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine (CID 2746149) is 4-methylsulfanyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(CSc2ccccc2)n1.
What is the InChIKey of 4-methylsulfanyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is WAHBERJHGGKKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S2/c1-16-11-14-9(13-10(12)15-11)7-17-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-methylsulfanyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 264.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 2746149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).