S-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate
TL;DR: S-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate (CAS 88113-43-3) is a chemical compound with molecular formula C10H11N3OS2 and molecular weight 253.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-(1,3-benzothiazol-2-ylamino)carbamothioate
Also Known As: NCIOpen2_002619, S-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate, S-ethyl N-(1,3-benzothiazol-2-ylamino)carbamothioate, S-Ethyl 2-(2-benzothiazolyl)hydrazinecarbothioate, S-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazine-1-carbothioate
| Molecular Formula | C10H11N3OS2 |
|---|---|
| Molecular Weight | 253.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.03435 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 88113-43-3 |
|---|---|
| SMILES | CCSC(=O)NNC1=NC2=CC=CC=C2S1 |
| InChIKey | BVFCGXKKWLKRLJ-UHFFFAOYSA-N |
Product Overview
S-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate (CAS 88113-43-3), with molecular formula C10H11N3OS2 and molecular weight 253.03 g/mol. IUPAC: S-ethyl N-(1,3-benzothiazol-2-ylamino)carbamothioate.
Chemical Property Profile of S-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate
Property Insights of S-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate
The XLogP value of 3.5 indicates that S-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate. Following Lipinski's Rule of Five, S-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate has 2 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-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate?
The CAS number of S-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate is 88113-43-3.
What is the molecular formula of S-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate?
The molecular formula of S-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate is C10H11N3OS2.
What is the molecular weight of S-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate?
The molecular weight of S-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate is 253.03 g/mol.
Where can I buy S-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate?
You can request a quote for S-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.