7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol
TL;DR: 7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol (CAS 442644-44-2) is a chemical compound with molecular formula C14H10N4OS and molecular weight 282.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(benzotriazol-2-yl)-5-methyl-3H-1,3-benzoxazole-2-thione
Also Known As: 7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol, 7-(2H-Benzo[d][1,2,3]triazol-2-yl)-5-methylbenzo[d]oxazole-2-thiol, 7-(benzotriazol-2-yl)-5-methyl-3H-1,3-benzoxazole-2-thione, 7-Benzotriazol-2-yl-5-methyl-benzooxazole-2-thiol, 2-benzoxazolethiol, 7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-
| Molecular Formula | C14H10N4OS |
|---|---|
| Molecular Weight | 282.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 84.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.05753 |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 442644-44-2 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)N3N=C4C=CC=CC4=N3)OC(=S)N2 |
| InChIKey | ZAULQVDMLNFNTM-UHFFFAOYSA-N |
Product Overview
7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol (CAS 442644-44-2), with molecular formula C14H10N4OS and molecular weight 282.06 g/mol. IUPAC: 7-(benzotriazol-2-yl)-5-methyl-3H-1,3-benzoxazole-2-thione.
Chemical Property Profile of 7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol
Property Insights of 7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol
The XLogP value of 3.5 indicates that 7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol. Following Lipinski's Rule of Five, 7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol has 1 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 7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol?
The CAS number of 7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol is 442644-44-2.
What is the molecular formula of 7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol?
The molecular formula of 7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol is C14H10N4OS.
What is the molecular weight of 7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol?
The molecular weight of 7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol is 282.06 g/mol.
Where can I buy 7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol?
You can request a quote for 7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.