5-methyl-1,2-dihydro-1,2,4-triazole-3-thione
CAS No.：
Cat. No.: SC24539
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :5-methyl-1,2-dihydro-1,2,4-triazole-3-thione
Cat. No.: :SC24539
Purity / Specification :—
CAS No. :7271-44-5
MDL No. :MFCD0020527
Molecular Formula :C3H5N3S
LogP :-0.20
Molecular Weight :115.15
TPSA :68.5
Category :API Impurities
HSN Code :—
SMILES Code :Cc1n[nH]c(=S)[nH]1
Melting Point :—
InChI Key : :OUZCWDMJTKYHCA-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 115.2 Da
LogP ≤ 5✓ -0.20
HBD ≤ 5✓ 2
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i52/100
Fragment / low drug-likeness
Predicted LogP
i-0.20log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 68.5Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.