Isopropyl (1,3-benzothiazol-2-ylthio)acetate
TL;DR: Isopropyl (1,3-benzothiazol-2-ylthio)acetate (CAS 6149-52-6) is a chemical compound with molecular formula C12H13NO2S2 and molecular weight 267.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
Also Known As: ChemDiv3_001545, isopropyl (1,3-benzothiazol-2-ylthio)acetate, isopropyl 2-(2-benzothiazolylthio)acetate, propan-2-yl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate, IDI1_020511
| Molecular Formula | C12H13NO2S2 |
|---|---|
| Molecular Weight | 267.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.03876 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 6149-52-6 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NC2=CC=CC=C2S1 |
| InChIKey | WCMLSZGTZCUCPL-UHFFFAOYSA-N |
Product Overview
Isopropyl (1,3-benzothiazol-2-ylthio)acetate (CAS 6149-52-6), with molecular formula C12H13NO2S2 and molecular weight 267.04 g/mol. IUPAC: propan-2-yl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate.
Chemical Property Profile of Isopropyl (1,3-benzothiazol-2-ylthio)acetate
Property Insights of Isopropyl (1,3-benzothiazol-2-ylthio)acetate
The XLogP value of 3.8 indicates that Isopropyl (1,3-benzothiazol-2-ylthio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl (1,3-benzothiazol-2-ylthio)acetate. Following Lipinski's Rule of Five, Isopropyl (1,3-benzothiazol-2-ylthio)acetate has 0 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 Isopropyl (1,3-benzothiazol-2-ylthio)acetate?
The CAS number of Isopropyl (1,3-benzothiazol-2-ylthio)acetate is 6149-52-6.
What is the molecular formula of Isopropyl (1,3-benzothiazol-2-ylthio)acetate?
The molecular formula of Isopropyl (1,3-benzothiazol-2-ylthio)acetate is C12H13NO2S2.
What is the molecular weight of Isopropyl (1,3-benzothiazol-2-ylthio)acetate?
The molecular weight of Isopropyl (1,3-benzothiazol-2-ylthio)acetate is 267.04 g/mol.
Where can I buy Isopropyl (1,3-benzothiazol-2-ylthio)acetate?
You can request a quote for Isopropyl (1,3-benzothiazol-2-ylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl (1,3-benzothiazol-2-ylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl (1,3-benzothiazol-2-ylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.