S-1,3-benzothiazol-2-yl diethylcarbamothioate
TL;DR: S-1,3-benzothiazol-2-yl diethylcarbamothioate (CAS 61670-49-3) is a chemical compound with molecular formula C12H14N2OS2 and molecular weight 266.05 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,N-diethylcarbamothioate
Also Known As: S-1,3-benzothiazol-2-yl diethylcarbamothioate, BIM-0015055.P001, benzothiazol-2-ylthio-N,N-diethylcarboxamide, Carbamothioic acid, diethyl-, S-2-benzothiazolyl ester, J1.148.131K
| Molecular Formula | C12H14N2OS2 |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.05475 |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 61670-49-3 |
|---|---|
| SMILES | CCN(CC)C(=O)SC1=NC2=CC=CC=C2S1 |
| InChIKey | KLVODDRHDHNROP-UHFFFAOYSA-N |
Product Overview
S-1,3-benzothiazol-2-yl diethylcarbamothioate (CAS 61670-49-3), with molecular formula C12H14N2OS2 and molecular weight 266.05 g/mol. IUPAC: S-(1,3-benzothiazol-2-yl) N,N-diethylcarbamothioate.
Chemical Property Profile of S-1,3-benzothiazol-2-yl diethylcarbamothioate
Property Insights of S-1,3-benzothiazol-2-yl diethylcarbamothioate
The XLogP value of 3.6 indicates that S-1,3-benzothiazol-2-yl diethylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-1,3-benzothiazol-2-yl diethylcarbamothioate. Following Lipinski's Rule of Five, S-1,3-benzothiazol-2-yl diethylcarbamothioate has 0 hydrogen bond donor(s) and 4 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 diethylcarbamothioate?
The CAS number of S-1,3-benzothiazol-2-yl diethylcarbamothioate is 61670-49-3.
What is the molecular formula of S-1,3-benzothiazol-2-yl diethylcarbamothioate?
The molecular formula of S-1,3-benzothiazol-2-yl diethylcarbamothioate is C12H14N2OS2.
What is the molecular weight of S-1,3-benzothiazol-2-yl diethylcarbamothioate?
The molecular weight of S-1,3-benzothiazol-2-yl diethylcarbamothioate is 266.05 g/mol.
Where can I buy S-1,3-benzothiazol-2-yl diethylcarbamothioate?
You can request a quote for S-1,3-benzothiazol-2-yl diethylcarbamothioate 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 diethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-1,3-benzothiazol-2-yl diethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.