N-Methyl-1,2,3,4-thiatriazol-5-amine
TL;DR: N-Methyl-1,2,3,4-thiatriazol-5-amine (CAS 52098-72-3) is a chemical compound with molecular formula C2H4N4S and molecular weight 116.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methylthiatriazol-5-amine
Also Known As: N-Methyl-1,2,3,4-thiatriazol-5-amine, N-methylthiatriazol-5-amine, 5-(Methylamino)-1,2,3,4-thiatriazole, 5-Methylamino-1,2,3,4-thiatriazol, n-Methyl-1,2,3,4-thiatriazol-5(2h)-imine
| Molecular Formula | C2H4N4S |
|---|---|
| Molecular Weight | 116.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 116.01567 |
| Heavy Atoms | 7 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 52098-72-3 |
|---|---|
| SMILES | CNC1=NN=NS1 |
| InChIKey | SLQJKKVTPGNODA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Methyl-1,2,3,4-thiatriazol-5-amine (CAS 52098-72-3), with molecular formula C2H4N4S and molecular weight 116.02 g/mol. IUPAC: N-methylthiatriazol-5-amine.
Chemical Property Profile of N-Methyl-1,2,3,4-thiatriazol-5-amine
Property Insights of N-Methyl-1,2,3,4-thiatriazol-5-amine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-1,2,3,4-thiatriazol-5-amine. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methyl-1,2,3,4-thiatriazol-5-amine. Following Lipinski's Rule of Five, N-Methyl-1,2,3,4-thiatriazol-5-amine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Methyl-1,2,3,4-thiatriazol-5-amine?
The CAS number of N-Methyl-1,2,3,4-thiatriazol-5-amine is 52098-72-3.
What is the molecular formula of N-Methyl-1,2,3,4-thiatriazol-5-amine?
The molecular formula of N-Methyl-1,2,3,4-thiatriazol-5-amine is C2H4N4S.
What is the molecular weight of N-Methyl-1,2,3,4-thiatriazol-5-amine?
The molecular weight of N-Methyl-1,2,3,4-thiatriazol-5-amine is 116.02 g/mol.
Where can I buy N-Methyl-1,2,3,4-thiatriazol-5-amine?
You can request a quote for N-Methyl-1,2,3,4-thiatriazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-1,2,3,4-thiatriazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-1,2,3,4-thiatriazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.