S-(1,3-benzothiazol-2-yl) 3-chlorobenzenecarbothioate
TL;DR: S-(1,3-benzothiazol-2-yl) 3-chlorobenzenecarbothioate (CAS 304661-75-4) is a chemical compound with molecular formula C14H8ClNOS2 and molecular weight 304.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(1,3-benzothiazol-2-yl) 3-chlorobenzenecarbothioate
Also Known As: BAS 00478095, benzothiazol-2-ylthio 3-chlorophenyl ketone, S-benzo[d]thiazol-2-yl 3-chlorobenzothioate, AE-848/33213017, S-(1,3-benzothiazol-2-yl) 3-chlorobenzenecarbothioate
| Molecular Formula | C14H8ClNOS2 |
|---|---|
| Molecular Weight | 304.97 g/mol |
| LogP | 4.8822 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.97357 |
| Heavy Atoms | 19 |
| Complexity | 720.7956 |
Chemical Identifiers
| CAS Number | 304661-75-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC(=O)C3=CC(=CC=C3)Cl |
Product Overview
S-(1,3-benzothiazol-2-yl) 3-chlorobenzenecarbothioate (CAS 304661-75-4), with molecular formula C14H8ClNOS2 and molecular weight 304.97 g/mol. IUPAC: S-(1,3-benzothiazol-2-yl) 3-chlorobenzenecarbothioate.
Chemical Property Profile of S-(1,3-benzothiazol-2-yl) 3-chlorobenzenecarbothioate
Property Insights of S-(1,3-benzothiazol-2-yl) 3-chlorobenzenecarbothioate
The XLogP value of 4.8822 indicates that S-(1,3-benzothiazol-2-yl) 3-chlorobenzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.96 Ų, S-(1,3-benzothiazol-2-yl) 3-chlorobenzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(1,3-benzothiazol-2-yl) 3-chlorobenzenecarbothioate 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) 3-chlorobenzenecarbothioate?
The CAS number of S-(1,3-benzothiazol-2-yl) 3-chlorobenzenecarbothioate is 304661-75-4.
What is the molecular formula of S-(1,3-benzothiazol-2-yl) 3-chlorobenzenecarbothioate?
The molecular formula of S-(1,3-benzothiazol-2-yl) 3-chlorobenzenecarbothioate is C14H8ClNOS2.
What is the molecular weight of S-(1,3-benzothiazol-2-yl) 3-chlorobenzenecarbothioate?
The molecular weight of S-(1,3-benzothiazol-2-yl) 3-chlorobenzenecarbothioate is 304.97 g/mol.
Where can I buy S-(1,3-benzothiazol-2-yl) 3-chlorobenzenecarbothioate?
You can request a quote for S-(1,3-benzothiazol-2-yl) 3-chlorobenzenecarbothioate 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) 3-chlorobenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(1,3-benzothiazol-2-yl) 3-chlorobenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.