2-amino-6-(2-methylsulfanylethyl)-1H-1,3,5-triazine-4-thione

C6H10N4S2 — CID 83240438

IUPAC2-amino-6-(2-methylsulfanylethyl)-1H-1,3,5-triazine-4-thione
SMILESCSCCc1nc(=S)nc(N)[nH]1
InChIInChI=1S/C6H10N4S2/c1-12-3-2-4-8-5(7)10-6(11)9-4/h2-3H2,1H3,(H3,7,8,9,10,11)
InChIKeyGFRWRGYYNOPSDM-UHFFFAOYSA-N
MW202.31 g/mol
LogP1.02
Rot. Bonds3

About 2-amino-6-(2-methylsulfanylethyl)-1H-1,3,5-triazine-4-thione

2-amino-6-(2-methylsulfanylethyl)-1H-1,3,5-triazine-4-thione (PubChem CID 83240438) has the molecular formula C6H10N4S2 and a molecular weight of 202.31 g/mol. Its IUPAC name is 2-amino-6-(2-methylsulfanylethyl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-(2-methylsulfanylethyl)-1H-1,3,5-triazine-4-thione
PubChem CID83240438
Molecular FormulaC6H10N4S2
Molecular Weight202.31 g/mol
Exact Mass202.03
IUPAC Name2-amino-6-(2-methylsulfanylethyl)-1H-1,3,5-triazine-4-thione
SMILESCSCCc1nc(=S)nc(N)[nH]1
InChIInChI=1S/C6H10N4S2/c1-12-3-2-4-8-5(7)10-6(11)9-4/h2-3H2,1H3,(H3,7,8,9,10,11)
InChIKeyGFRWRGYYNOPSDM-UHFFFAOYSA-N
XLogP1.02
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-6-(2-methylsulfanylethyl)-1H-1,3,5-triazine-4-thione 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-amino-6-(2-methylsulfanylethyl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-(2-methylsulfanylethyl)-1H-1,3,5-triazine-4-thione (CID 83240438) is 2-amino-6-(2-methylsulfanylethyl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-(2-methylsulfanylethyl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-(2-methylsulfanylethyl)-1H-1,3,5-triazine-4-thione is CSCCc1nc(=S)nc(N)[nH]1.
What is the InChIKey of 2-amino-6-(2-methylsulfanylethyl)-1H-1,3,5-triazine-4-thione?
The InChIKey is GFRWRGYYNOPSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S2/c1-12-3-2-4-8-5(7)10-6(11)9-4/h2-3H2,1H3,(H3,7,8,9,10,11).
What are the key properties of 2-amino-6-(2-methylsulfanylethyl)-1H-1,3,5-triazine-4-thione?
2-amino-6-(2-methylsulfanylethyl)-1H-1,3,5-triazine-4-thione has a molecular weight of 202.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-methylsulfanylethyl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 83240438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).