1,2,3-Benzotriazin-4-yl methyl sulfide
TL;DR: 1,2,3-Benzotriazin-4-yl methyl sulfide (CAS 22305-56-2) is a chemical compound with molecular formula C8H7N3S and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-1,2,3-benzotriazine
Also Known As: 4-methylsulfanyl-1,2,3-benzotriazine, 1,2,3-Benzotriazin-4-yl methyl sulfide, NCIStruc1_000125, NCIStruc2_000296, 4-(Methylthio)-1,2,3-benzotriazine
| Molecular Formula | C8H7N3S |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.03607 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 22305-56-2 |
|---|---|
| SMILES | CSC1=NN=NC2=CC=CC=C21 |
| InChIKey | BEZAACQRPPJFMJ-UHFFFAOYSA-N |
Product Overview
1,2,3-Benzotriazin-4-yl methyl sulfide (CAS 22305-56-2), with molecular formula C8H7N3S and molecular weight 177.04 g/mol. IUPAC: 4-methylsulfanyl-1,2,3-benzotriazine.
Chemical Property Profile of 1,2,3-Benzotriazin-4-yl methyl sulfide
Property Insights of 1,2,3-Benzotriazin-4-yl methyl sulfide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Benzotriazin-4-yl methyl sulfide. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Benzotriazin-4-yl methyl sulfide. Following Lipinski's Rule of Five, 1,2,3-Benzotriazin-4-yl methyl sulfide has 0 hydrogen bond donor(s) and 4 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-Benzotriazin-4-yl methyl sulfide?
The CAS number of 1,2,3-Benzotriazin-4-yl methyl sulfide is 22305-56-2.
What is the molecular formula of 1,2,3-Benzotriazin-4-yl methyl sulfide?
The molecular formula of 1,2,3-Benzotriazin-4-yl methyl sulfide is C8H7N3S.
What is the molecular weight of 1,2,3-Benzotriazin-4-yl methyl sulfide?
The molecular weight of 1,2,3-Benzotriazin-4-yl methyl sulfide is 177.04 g/mol.
Where can I buy 1,2,3-Benzotriazin-4-yl methyl sulfide?
You can request a quote for 1,2,3-Benzotriazin-4-yl methyl sulfide 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-Benzotriazin-4-yl methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Benzotriazin-4-yl methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.