1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidenecyanamide
TL;DR: 1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidenecyanamide (CAS 58099-00-6) is a chemical compound with molecular formula C9H7N3OS and molecular weight 205.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)cyanamide
Also Known As: 1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidenecyanamide, (1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)cyanamide, (Z)-(1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)cyanamide
| Molecular Formula | C9H7N3OS |
|---|---|
| Molecular Weight | 205.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.03099 |
| Heavy Atoms | 14 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 58099-00-6 |
|---|---|
| SMILES | CS1(=NC(=NC#N)C2=CC=CC=C21)=O |
| InChIKey | LBRGFBVOZZIFMY-UHFFFAOYSA-N |
Product Overview
1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidenecyanamide (CAS 58099-00-6), with molecular formula C9H7N3OS and molecular weight 205.03 g/mol. IUPAC: (1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)cyanamide.
Chemical Property Profile of 1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidenecyanamide
Property Insights of 1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidenecyanamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidenecyanamide. The TPSA of 74.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidenecyanamide. Following Lipinski's Rule of Five, 1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidenecyanamide has 0 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-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidenecyanamide?
The CAS number of 1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidenecyanamide is 58099-00-6.
What is the molecular formula of 1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidenecyanamide?
The molecular formula of 1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidenecyanamide is C9H7N3OS.
What is the molecular weight of 1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidenecyanamide?
The molecular weight of 1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidenecyanamide is 205.03 g/mol.
Where can I buy 1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidenecyanamide?
You can request a quote for 1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidenecyanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidenecyanamide?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidenecyanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.