2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
TL;DR: 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide (CAS 453552-52-8) is a chemical compound with molecular formula C11H9N7O3S2 and molecular weight 351.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Also Known As: 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide, 2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide, 2-[(1-methyl-1H-tetrazol-5-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide, 2-[(1-METHYL-1H-1,2,3,4-TETRAAZOL-5-YL)SULFANYL]-N~1~-(6-NITRO-1,3-BENZOTHIAZOL-2-YL)ACETAMIDE
| Molecular Formula | C11H9N7O3S2 |
|---|---|
| Molecular Weight | 351.02 g/mol |
| LogP | 1.4588 |
| Topological Polar Surface Area | 128.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.02084 |
| Heavy Atoms | 23 |
| Complexity | 890.7627 |
Chemical Identifiers
| CAS Number | 453552-52-8 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide (CAS 453552-52-8), with molecular formula C11H9N7O3S2 and molecular weight 351.02 g/mol. IUPAC: 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide.
Chemical Property Profile of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Property Insights of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
The XLogP value of 1.4588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide. The TPSA of 128.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide. Following Lipinski's Rule of Five, 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide has 1 hydrogen bond donor(s) and 9 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 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
The CAS number of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide is 453552-52-8.
What is the molecular formula of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
The molecular formula of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide is C11H9N7O3S2.
What is the molecular weight of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
The molecular weight of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide is 351.02 g/mol.
Where can I buy 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
You can request a quote for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.