1,2,3-Benzotriazin-4(3H)-one, 3,3'-(thiodimethylene)bis-
TL;DR: 1,2,3-Benzotriazin-4(3H)-one, 3,3'-(thiodimethylene)bis- (CAS 34916-57-9) is a chemical compound with molecular formula C16H12N6O2S and molecular weight 352.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanylmethyl]-1,2,3-benzotriazin-4-one
Also Known As: 1-phenyl-1-octene, 3,3'-(sulfanediyldimethanediyl)bis(1,2,3-benzotriazin-4(3h)-one), 1,2,3-Benzotriazin-4(3H)-one, 3,3'-(thiodimethylene)bis-, 3,3'-(Thiobis(methylene))bis(benzo[d][1,2,3]triazin-4(3H)-one), 1,2,3-Benzotriazin-4(3H)-one, 3,3'-[thiobis(methylene)]bis-
| Molecular Formula | C16H12N6O2S |
|---|---|
| Molecular Weight | 352.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.07425 |
| Heavy Atoms | 25 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 34916-57-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)CSCN3C(=O)C4=CC=CC=C4N=N3 |
| InChIKey | BBXVQRDDKLPSJM-UHFFFAOYSA-N |
Product Overview
1,2,3-Benzotriazin-4(3H)-one, 3,3'-(thiodimethylene)bis- (CAS 34916-57-9), with molecular formula C16H12N6O2S and molecular weight 352.07 g/mol. IUPAC: 3-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanylmethyl]-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 1,2,3-Benzotriazin-4(3H)-one, 3,3'-(thiodimethylene)bis-
Property Insights of 1,2,3-Benzotriazin-4(3H)-one, 3,3'-(thiodimethylene)bis-
The XLogP value of 3.8 indicates that 1,2,3-Benzotriazin-4(3H)-one, 3,3'-(thiodimethylene)bis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Benzotriazin-4(3H)-one, 3,3'-(thiodimethylene)bis-. Following Lipinski's Rule of Five, 1,2,3-Benzotriazin-4(3H)-one, 3,3'-(thiodimethylene)bis- has 0 hydrogen bond donor(s) and 7 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(3H)-one, 3,3'-(thiodimethylene)bis-?
The CAS number of 1,2,3-Benzotriazin-4(3H)-one, 3,3'-(thiodimethylene)bis- is 34916-57-9.
What is the molecular formula of 1,2,3-Benzotriazin-4(3H)-one, 3,3'-(thiodimethylene)bis-?
The molecular formula of 1,2,3-Benzotriazin-4(3H)-one, 3,3'-(thiodimethylene)bis- is C16H12N6O2S.
What is the molecular weight of 1,2,3-Benzotriazin-4(3H)-one, 3,3'-(thiodimethylene)bis-?
The molecular weight of 1,2,3-Benzotriazin-4(3H)-one, 3,3'-(thiodimethylene)bis- is 352.07 g/mol.
Where can I buy 1,2,3-Benzotriazin-4(3H)-one, 3,3'-(thiodimethylene)bis-?
You can request a quote for 1,2,3-Benzotriazin-4(3H)-one, 3,3'-(thiodimethylene)bis- 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(3H)-one, 3,3'-(thiodimethylene)bis-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Benzotriazin-4(3H)-one, 3,3'-(thiodimethylene)bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.