1,2,3-Benzotriazine-4-thiol
TL;DR: 1,2,3-Benzotriazine-4-thiol (CAS 25465-34-3) is a chemical compound with molecular formula C7H5N3S and molecular weight 163.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-1,2,3-benzotriazine-4-thione
Also Known As: 1,2,3-Benzotriazine-4-thiol, benzotriazinethione, 1H-1,2,3-benzotriazine-4-thione, 1,2,3-Benzotriazin-4-yl hydrosulfide, 1,2,3-Benzotriazine-4(3H)-thione
| Molecular Formula | C7H5N3S |
|---|---|
| Molecular Weight | 163.02 g/mol |
| LogP | 1.68739 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.02042 |
| Heavy Atoms | 11 |
| Complexity | 429.3838 |
Chemical Identifiers
| CAS Number | 25465-34-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=S)N=NN2 |
Product Overview
1,2,3-Benzotriazine-4-thiol (CAS 25465-34-3), with molecular formula C7H5N3S and molecular weight 163.02 g/mol. IUPAC: 1H-1,2,3-benzotriazine-4-thione.
Chemical Property Profile of 1,2,3-Benzotriazine-4-thiol
Property Insights of 1,2,3-Benzotriazine-4-thiol
The XLogP value of 1.68739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Benzotriazine-4-thiol. With a topological polar surface area (TPSA) of 41.57 Ų, 1,2,3-Benzotriazine-4-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Benzotriazine-4-thiol has 1 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 1,2,3-Benzotriazine-4-thiol?
The CAS number of 1,2,3-Benzotriazine-4-thiol is 25465-34-3.
What is the molecular formula of 1,2,3-Benzotriazine-4-thiol?
The molecular formula of 1,2,3-Benzotriazine-4-thiol is C7H5N3S.
What is the molecular weight of 1,2,3-Benzotriazine-4-thiol?
The molecular weight of 1,2,3-Benzotriazine-4-thiol is 163.02 g/mol.
Where can I buy 1,2,3-Benzotriazine-4-thiol?
You can request a quote for 1,2,3-Benzotriazine-4-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Benzotriazine-4-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Benzotriazine-4-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.