4-[(4-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine

C11H12N4S — CID 66065045

IUPAC4-[(4-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
SMILESCc1ccc(SCc2ncnc(N)n2)cc1
InChIInChI=1S/C11H12N4S/c1-8-2-4-9(5-3-8)16-6-10-13-7-14-11(12)15-10/h2-5,7H,6H2,1H3,(H2,12,13,14,15)
InChIKeyFIBBJEACZJQUQB-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.05
Rot. Bonds3

About 4-[(4-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine

4-[(4-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine (PubChem CID 66065045) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
PubChem CID66065045
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name4-[(4-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
SMILESCc1ccc(SCc2ncnc(N)n2)cc1
InChIInChI=1S/C11H12N4S/c1-8-2-4-9(5-3-8)16-6-10-13-7-14-11(12)15-10/h2-5,7H,6H2,1H3,(H2,12,13,14,15)
InChIKeyFIBBJEACZJQUQB-UHFFFAOYSA-N
XLogP2.05
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine (CID 66065045) is 4-[(4-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine is Cc1ccc(SCc2ncnc(N)n2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine?
The InChIKey is FIBBJEACZJQUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-8-2-4-9(5-3-8)16-6-10-13-7-14-11(12)15-10/h2-5,7H,6H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[(4-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine?
4-[(4-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine has a molecular weight of 232.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 66065045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).