1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt
TL;DR: 1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt (CAS 34618-67-2) 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.
1,3-dimethyltriazol-1-ium-4-thiolate
Also Known As: 1,3-dimethyltriazol-1-ium-4-thiolate, 1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt, 1,3-dimethyl-1H-1,2,3-triazol-3-ium-5-thiolate, 1,3-dimethyl-2,3-diaza-1-azoniacyclopenta-1,4-diene-4-thiolate, 1,3-dimethyl-5-sulfanylidene-2,5-dihydro-1H-1,2,3-triazol-3-ium-2-ide
| Molecular Formula | C4H7N3S |
|---|---|
| Molecular Weight | 129.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 22.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 129.03607 |
| Heavy Atoms | 8 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 34618-67-2 |
|---|---|
| SMILES | CN1C(=C[N+](=N1)C)[S-] |
| InChIKey | GZIRWFBHMQNZSK-UHFFFAOYSA-N |
Product Overview
1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt (CAS 34618-67-2), with molecular formula C4H7N3S and molecular weight 129.04 g/mol. IUPAC: 1,3-dimethyltriazol-1-ium-4-thiolate.
Chemical Property Profile of 1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt
Property Insights of 1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt. With a topological polar surface area (TPSA) of 22.7 Ų, 1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt has 0 hydrogen bond donor(s) and 2 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 1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt?
The CAS number of 1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt is 34618-67-2.
What is the molecular formula of 1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt?
The molecular formula of 1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt is C4H7N3S.
What is the molecular weight of 1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt?
The molecular weight of 1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt is 129.04 g/mol.
Where can I buy 1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt?
You can request a quote for 1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.