3-Methyl-6-nitro-3H-benzothiazol-2-ylideneamine
TL;DR: 3-Methyl-6-nitro-3H-benzothiazol-2-ylideneamine (CAS 99700-95-5) is a chemical compound with molecular formula C8H7N3O2S and molecular weight 209.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-nitro-1,3-benzothiazol-2-imine
Also Known As: 3-Methyl-6-nitro-3H-benzothiazol-2-ylideneamine, 3-Methyl-6-nitrobenzo[d]thiazol-2(3H)-imine, 3-methyl-6-nitro-1,3-benzothiazol-2-imine, 2-Imino-3-methyl-6-nitrobenzothiazoline, 3-methyl-6-nitro-2,3-dihydro-1,3-benzothiazol-2-imine
| Molecular Formula | C8H7N3O2S |
|---|---|
| Molecular Weight | 209.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.0259 |
| Heavy Atoms | 14 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 99700-95-5 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=N |
| InChIKey | YNEYOQIUYCTUST-UHFFFAOYSA-N |
Product Overview
3-Methyl-6-nitro-3H-benzothiazol-2-ylideneamine (CAS 99700-95-5), with molecular formula C8H7N3O2S and molecular weight 209.03 g/mol. IUPAC: 3-methyl-6-nitro-1,3-benzothiazol-2-imine.
Chemical Property Profile of 3-Methyl-6-nitro-3H-benzothiazol-2-ylideneamine
Property Insights of 3-Methyl-6-nitro-3H-benzothiazol-2-ylideneamine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-6-nitro-3H-benzothiazol-2-ylideneamine. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-6-nitro-3H-benzothiazol-2-ylideneamine. Following Lipinski's Rule of Five, 3-Methyl-6-nitro-3H-benzothiazol-2-ylideneamine 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 3-Methyl-6-nitro-3H-benzothiazol-2-ylideneamine?
The CAS number of 3-Methyl-6-nitro-3H-benzothiazol-2-ylideneamine is 99700-95-5.
What is the molecular formula of 3-Methyl-6-nitro-3H-benzothiazol-2-ylideneamine?
The molecular formula of 3-Methyl-6-nitro-3H-benzothiazol-2-ylideneamine is C8H7N3O2S.
What is the molecular weight of 3-Methyl-6-nitro-3H-benzothiazol-2-ylideneamine?
The molecular weight of 3-Methyl-6-nitro-3H-benzothiazol-2-ylideneamine is 209.03 g/mol.
Where can I buy 3-Methyl-6-nitro-3H-benzothiazol-2-ylideneamine?
You can request a quote for 3-Methyl-6-nitro-3H-benzothiazol-2-ylideneamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-6-nitro-3H-benzothiazol-2-ylideneamine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-6-nitro-3H-benzothiazol-2-ylideneamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.