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'}

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Related Compounds

4-(2-methoxy-4-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 106793544
4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine
CID 63868448
4-(2-fluorophenyl)-6-methyl-1,3,5-triazin-2-amine
CID 82469916
2-(2-aminophenyl)-5-methylbenzenethiol
CID 174659757
4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 82478513
4-(2,6-dimethyl-4-pyridinyl)-6-methyl-1,3,5-triazin-2-amine
CID 107504712
4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-amine
CID 12798609
5-methyl-2-phenylbenzenethiol
CID 15805257
4-(3-fluoro-4-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 63867429
6-(2,6-dimethyl-3-pyridinyl)-1,3,5-triazine-2,4-diamine
CID 112681460
4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine
CID 15211774
[4-(2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82473895

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).