2-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methylbenzenethiol

C11H12N4S — CID 137199572

IUPAC2-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methylbenzenethiol
SMILESCc1ccc(-c2nc(C)nc(N)n2)c(S)c1
InChIInChI=1S/C11H12N4S/c1-6-3-4-8(9(16)5-6)10-13-7(2)14-11(12)15-10/h3-5,16H,1-2H3,(H2,12,13,14,15)
InChIKeyJYASEOZAVLAYQK-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.03
Rot. Bonds1

About 2-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methylbenzenethiol

2-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methylbenzenethiol (PubChem CID 137199572) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methylbenzenethiol.

Molecular Properties

Compound Name2-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methylbenzenethiol
PubChem CID137199572
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name2-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methylbenzenethiol
SMILESCc1ccc(-c2nc(C)nc(N)n2)c(S)c1
InChIInChI=1S/C11H12N4S/c1-6-3-4-8(9(16)5-6)10-13-7(2)14-11(12)15-10/h3-5,16H,1-2H3,(H2,12,13,14,15)
InChIKeyJYASEOZAVLAYQK-UHFFFAOYSA-N
XLogP2.03
TPSA64.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methylbenzenethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methylbenzenethiol?
The IUPAC name of 2-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methylbenzenethiol (CID 137199572) is 2-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methylbenzenethiol.
What is the SMILES notation for 2-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methylbenzenethiol?
The canonical SMILES for 2-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methylbenzenethiol is Cc1ccc(-c2nc(C)nc(N)n2)c(S)c1.
What is the InChIKey of 2-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methylbenzenethiol?
The InChIKey is JYASEOZAVLAYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-6-3-4-8(9(16)5-6)10-13-7(2)14-11(12)15-10/h3-5,16H,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methylbenzenethiol?
2-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methylbenzenethiol has a molecular weight of 232.31 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methylbenzenethiol is sourced from PubChem (CID 137199572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).