S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate
TL;DR: S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate (CAS 1684396-27-7) is a chemical compound with molecular formula C13H10N4O2S3 and molecular weight 350.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(1,3-benzothiazol-2-yl) 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioate
Also Known As: Cefmenoxime Impurity 26, 98% +(isomers mixture), K438, S-(2-Benzothiazolyl) (Z)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)thioacetate, S-(1,3-benzothiazol-2-yl) 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioate
| Molecular Formula | C13H10N4O2S3 |
|---|---|
| Molecular Weight | 350.00 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.99658 |
| Heavy Atoms | 22 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 1684396-27-7 |
|---|---|
| SMILES | CON=C(C1=CSC(=N1)N)C(=O)SC2=NC3=CC=CC=C3S2 |
| InChIKey | COFDRZLHVALCDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate (CAS 1684396-27-7), with molecular formula C13H10N4O2S3 and molecular weight 350.00 g/mol. IUPAC: S-(1,3-benzothiazol-2-yl) 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioate.
Chemical Property Profile of S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate
Property Insights of S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate
The XLogP value of 4.1 indicates that S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.0 Ų indicates high polarity, suggesting S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate 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 S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate?
The CAS number of S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate is 1684396-27-7.
What is the molecular formula of S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate?
The molecular formula of S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate is C13H10N4O2S3.
What is the molecular weight of S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate?
The molecular weight of S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate is 350.00 g/mol.
Where can I buy S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate?
You can request a quote for S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate?
Yes, KEHONG BIO provides custom synthesis services for S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.