S-1,3-Benzothiazol-2-yl hydrogen (2-methoxyphenyl)carbonimidothioate
TL;DR: S-1,3-Benzothiazol-2-yl hydrogen (2-methoxyphenyl)carbonimidothioate (CAS 6971-73-9) is a chemical compound with molecular formula C15H12N2O2S2 and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(1,3-benzothiazol-2-yl) N-(2-methoxyphenyl)carbamothioate
Also Known As: s-1,3-benzothiazol-2-yl(2-methoxyphenyl)carbamothioate, S-1,3-Benzothiazol-2-yl hydrogen (2-methoxyphenyl)carbonimidothioate, S-(1,3-benzothiazol-2-yl) N-(2-methoxyphenyl)carbamothioate, S-(1,3-Benzothiazol-2-yl) hydrogen (2-methoxyphenyl)carbonimidothioate
| Molecular Formula | C15H12N2O2S2 |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.03403 |
| Heavy Atoms | 21 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 6971-73-9 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)SC2=NC3=CC=CC=C3S2 |
| InChIKey | MVFYEKATUHPULQ-UHFFFAOYSA-N |
Product Overview
S-1,3-Benzothiazol-2-yl hydrogen (2-methoxyphenyl)carbonimidothioate (CAS 6971-73-9), with molecular formula C15H12N2O2S2 and molecular weight 316.03 g/mol. IUPAC: S-(1,3-benzothiazol-2-yl) N-(2-methoxyphenyl)carbamothioate.
Chemical Property Profile of S-1,3-Benzothiazol-2-yl hydrogen (2-methoxyphenyl)carbonimidothioate
Property Insights of S-1,3-Benzothiazol-2-yl hydrogen (2-methoxyphenyl)carbonimidothioate
The XLogP value of 4.4 indicates that S-1,3-Benzothiazol-2-yl hydrogen (2-methoxyphenyl)carbonimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-1,3-Benzothiazol-2-yl hydrogen (2-methoxyphenyl)carbonimidothioate. Following Lipinski's Rule of Five, S-1,3-Benzothiazol-2-yl hydrogen (2-methoxyphenyl)carbonimidothioate has 1 hydrogen bond donor(s) and 5 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-1,3-Benzothiazol-2-yl hydrogen (2-methoxyphenyl)carbonimidothioate?
The CAS number of S-1,3-Benzothiazol-2-yl hydrogen (2-methoxyphenyl)carbonimidothioate is 6971-73-9.
What is the molecular formula of S-1,3-Benzothiazol-2-yl hydrogen (2-methoxyphenyl)carbonimidothioate?
The molecular formula of S-1,3-Benzothiazol-2-yl hydrogen (2-methoxyphenyl)carbonimidothioate is C15H12N2O2S2.
What is the molecular weight of S-1,3-Benzothiazol-2-yl hydrogen (2-methoxyphenyl)carbonimidothioate?
The molecular weight of S-1,3-Benzothiazol-2-yl hydrogen (2-methoxyphenyl)carbonimidothioate is 316.03 g/mol.
Where can I buy S-1,3-Benzothiazol-2-yl hydrogen (2-methoxyphenyl)carbonimidothioate?
You can request a quote for S-1,3-Benzothiazol-2-yl hydrogen (2-methoxyphenyl)carbonimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-1,3-Benzothiazol-2-yl hydrogen (2-methoxyphenyl)carbonimidothioate?
Yes, KEHONG BIO provides custom synthesis services for S-1,3-Benzothiazol-2-yl hydrogen (2-methoxyphenyl)carbonimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.