4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3,5-trimethyl-
TL;DR: 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3,5-trimethyl- (CAS 64808-27-1) is a chemical compound with molecular formula C5H9N3S and molecular weight 143.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5-trimethyltriazole-4-thione
Also Known As: 2,3,5-trimethyltriazole-4-thione, 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3,5-trimethyl-, 1,2,4-Trimethyl-1H-1,2,3-triazole-5(2H)-thione, 4H-1,2,3-Triazole-4-thione,2,3-dihydro-2,3,5-trimethyl-, trimethyl-2,5-dihydro-1H-1,2,3-triazole-5-thione
| Molecular Formula | C5H9N3S |
|---|---|
| Molecular Weight | 143.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.05171 |
| Heavy Atoms | 9 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 64808-27-1 |
|---|---|
| SMILES | CC1=NN(N(C1=S)C)C |
| InChIKey | APQPWZBITGAASB-UHFFFAOYSA-N |
Product Overview
4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3,5-trimethyl- (CAS 64808-27-1), with molecular formula C5H9N3S and molecular weight 143.05 g/mol. IUPAC: 2,3,5-trimethyltriazole-4-thione.
Chemical Property Profile of 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3,5-trimethyl-
Property Insights of 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3,5-trimethyl-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3,5-trimethyl-. With a topological polar surface area (TPSA) of 50.9 Ų, 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3,5-trimethyl- has 0 hydrogen bond donor(s) and 3 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 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3,5-trimethyl-?
The CAS number of 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3,5-trimethyl- is 64808-27-1.
What is the molecular formula of 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3,5-trimethyl-?
The molecular formula of 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3,5-trimethyl- is C5H9N3S.
What is the molecular weight of 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3,5-trimethyl-?
The molecular weight of 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3,5-trimethyl- is 143.05 g/mol.
Where can I buy 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3,5-trimethyl-?
You can request a quote for 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3,5-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3,5-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.