Dimethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate
TL;DR: Dimethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate (CAS 71156-12-2) is a chemical compound with molecular formula C10H9N3O2S3 and molecular weight 298.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(methylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine
Also Known As: Dimethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate, 1,1-bis(methylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine, 1,1-bis(methylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)met, dimethyl (6-nitro-1,3-benzothiazol-2-yl)dithioimidocarbonate, N-(6-Nitrobenzothiazol-2-yl)imidodithiocarbonic acid dimethyl ester
| Molecular Formula | C10H9N3O2S3 |
|---|---|
| Molecular Weight | 298.99 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.9857 |
| Heavy Atoms | 18 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 71156-12-2 |
|---|---|
| SMILES | CSC(=NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC |
| InChIKey | JPXRJENWLNRPCK-UHFFFAOYSA-N |
Product Overview
Dimethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate (CAS 71156-12-2), with molecular formula C10H9N3O2S3 and molecular weight 298.99 g/mol. IUPAC: 1,1-bis(methylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)methanimine.
Chemical Property Profile of Dimethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate
Property Insights of Dimethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate
The XLogP value of 4.3 indicates that Dimethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting Dimethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate 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 Dimethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate?
The CAS number of Dimethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate is 71156-12-2.
What is the molecular formula of Dimethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate?
The molecular formula of Dimethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate is C10H9N3O2S3.
What is the molecular weight of Dimethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate?
The molecular weight of Dimethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate is 298.99 g/mol.
Where can I buy Dimethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate?
You can request a quote for Dimethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (6-nitro-1,3-benzothiazol-2-yl)carbonodithioimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.