4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3-dimethyl-
TL;DR: 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3-dimethyl- (CAS 64808-28-2) is a chemical compound with molecular formula C4H7N3S and molecular weight 129.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethyltriazole-4-thione
Also Known As: 2,3-dimethyltriazole-4-thione, 1,2-Dimethyltriazoline-5-thione, 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3-dimethyl-, 1,2-Dimethyl-1H-1,2,3-triazole-5(2H)-thione, 1,2-dimethyl-2,5-dihydro-1H-1,2,3-triazole-5-thione
| Molecular Formula | C4H7N3S |
|---|---|
| Molecular Weight | 129.04 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 | 129.03607 |
| Heavy Atoms | 8 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 64808-28-2 |
|---|---|
| SMILES | CN1C(=S)C=NN1C |
| InChIKey | VUNVTLJGLXPICU-UHFFFAOYSA-N |
Product Overview
4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3-dimethyl- (CAS 64808-28-2), with molecular formula C4H7N3S and molecular weight 129.04 g/mol. IUPAC: 2,3-dimethyltriazole-4-thione.
Chemical Property Profile of 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3-dimethyl-
Property Insights of 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3-dimethyl-
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-dimethyl-. With a topological polar surface area (TPSA) of 50.9 Ų, 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3-dimethyl- 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-dimethyl- 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-dimethyl-?
The CAS number of 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3-dimethyl- is 64808-28-2.
What is the molecular formula of 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3-dimethyl-?
The molecular formula of 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3-dimethyl- is C4H7N3S.
What is the molecular weight of 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3-dimethyl-?
The molecular weight of 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3-dimethyl- is 129.04 g/mol.
Where can I buy 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3-dimethyl-?
You can request a quote for 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3-dimethyl- 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-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,3-Triazole-4-thione, 2,3-dihydro-2,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.