[4-methyl-6-(sulfanylmethyl)-1,3,5-triazin-2-yl]methanethiol

C6H9N3S2 — CID 1042714

IUPAC[4-methyl-6-(sulfanylmethyl)-1,3,5-triazin-2-yl]methanethiol
SMILESCc1nc(CS)nc(CS)n1
InChIInChI=1S/C6H9N3S2/c1-4-7-5(2-10)9-6(3-11)8-4/h10-11H,2-3H2,1H3
InChIKeyGRAAUYIACZBCOK-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.04
Rot. Bonds2

About [4-methyl-6-(sulfanylmethyl)-1,3,5-triazin-2-yl]methanethiol

[4-methyl-6-(sulfanylmethyl)-1,3,5-triazin-2-yl]methanethiol (PubChem CID 1042714) has the molecular formula C6H9N3S2 and a molecular weight of 187.29 g/mol. Its IUPAC name is [4-methyl-6-(sulfanylmethyl)-1,3,5-triazin-2-yl]methanethiol.

Molecular Properties

Compound Name[4-methyl-6-(sulfanylmethyl)-1,3,5-triazin-2-yl]methanethiol
PubChem CID1042714
Molecular FormulaC6H9N3S2
Molecular Weight187.29 g/mol
Exact Mass187.02
IUPAC Name[4-methyl-6-(sulfanylmethyl)-1,3,5-triazin-2-yl]methanethiol
SMILESCc1nc(CS)nc(CS)n1
InChIInChI=1S/C6H9N3S2/c1-4-7-5(2-10)9-6(3-11)8-4/h10-11H,2-3H2,1H3
InChIKeyGRAAUYIACZBCOK-UHFFFAOYSA-N
XLogP1.04
TPSA38.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-methyl-6-(sulfanylmethyl)-1,3,5-triazin-2-yl]methanethiol 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 [4-methyl-6-(sulfanylmethyl)-1,3,5-triazin-2-yl]methanethiol?
The IUPAC name of [4-methyl-6-(sulfanylmethyl)-1,3,5-triazin-2-yl]methanethiol (CID 1042714) is [4-methyl-6-(sulfanylmethyl)-1,3,5-triazin-2-yl]methanethiol.
What is the SMILES notation for [4-methyl-6-(sulfanylmethyl)-1,3,5-triazin-2-yl]methanethiol?
The canonical SMILES for [4-methyl-6-(sulfanylmethyl)-1,3,5-triazin-2-yl]methanethiol is Cc1nc(CS)nc(CS)n1.
What is the InChIKey of [4-methyl-6-(sulfanylmethyl)-1,3,5-triazin-2-yl]methanethiol?
The InChIKey is GRAAUYIACZBCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S2/c1-4-7-5(2-10)9-6(3-11)8-4/h10-11H,2-3H2,1H3.
What are the key properties of [4-methyl-6-(sulfanylmethyl)-1,3,5-triazin-2-yl]methanethiol?
[4-methyl-6-(sulfanylmethyl)-1,3,5-triazin-2-yl]methanethiol has a molecular weight of 187.29 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-6-(sulfanylmethyl)-1,3,5-triazin-2-yl]methanethiol is sourced from PubChem (CID 1042714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).