1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine
TL;DR: 1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine (CAS 76423-98-8) is a chemical compound with molecular formula C12H13N3O2S3 and molecular weight 327.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine
Also Known As: 1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine, 1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)meth, Diethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate
| Molecular Formula | C12H13N3O2S3 |
|---|---|
| Molecular Weight | 327.02 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.017 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 76423-98-8 |
|---|---|
| SMILES | CCSC(=NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SCC |
| InChIKey | VFKGBAIGNUOULF-UHFFFAOYSA-N |
Product Overview
1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine (CAS 76423-98-8), with molecular formula C12H13N3O2S3 and molecular weight 327.02 g/mol. IUPAC: 1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine.
Chemical Property Profile of 1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine
Property Insights of 1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine
The XLogP value of 5.0 indicates that 1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting 1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine 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 1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine?
The CAS number of 1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine is 76423-98-8.
What is the molecular formula of 1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine?
The molecular formula of 1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine is C12H13N3O2S3.
What is the molecular weight of 1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine?
The molecular weight of 1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine is 327.02 g/mol.
Where can I buy 1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine?
You can request a quote for 1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine?
Yes, KEHONG BIO provides custom synthesis services for 1,1-bis(ethylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.