S-(5-chloro-1,3-benzoxazol-2-yl) 3-chlorobenzenecarbothioate
TL;DR: S-(5-chloro-1,3-benzoxazol-2-yl) 3-chlorobenzenecarbothioate (CAS 338750-73-5) is a chemical compound with molecular formula C14H7Cl2NO2S and molecular weight 322.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(5-chloro-1,3-benzoxazol-2-yl) 3-chlorobenzenecarbothioate
Also Known As: S-(5-chloro-1,3-benzoxazol-2-yl) 3-chlorobenzenecarbothioate, 5B-035, [(5-chloro-1,3-benzoxazol-2-yl)sulfanyl](3-chlorophenyl)methanone
| Molecular Formula | C14H7Cl2NO2S |
|---|---|
| Molecular Weight | 322.96 g/mol |
| LogP | 5.0671 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.95746 |
| Heavy Atoms | 20 |
| Complexity | 800.72314 |
Chemical Identifiers
| CAS Number | 338750-73-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)SC2=NC3=C(O2)C=CC(=C3)Cl |
Product Overview
S-(5-chloro-1,3-benzoxazol-2-yl) 3-chlorobenzenecarbothioate (CAS 338750-73-5), with molecular formula C14H7Cl2NO2S and molecular weight 322.96 g/mol. IUPAC: S-(5-chloro-1,3-benzoxazol-2-yl) 3-chlorobenzenecarbothioate.
Chemical Property Profile of S-(5-chloro-1,3-benzoxazol-2-yl) 3-chlorobenzenecarbothioate
Property Insights of S-(5-chloro-1,3-benzoxazol-2-yl) 3-chlorobenzenecarbothioate
The XLogP value of 5.0671 indicates that S-(5-chloro-1,3-benzoxazol-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 43.1 Ų, S-(5-chloro-1,3-benzoxazol-2-yl) 3-chlorobenzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(5-chloro-1,3-benzoxazol-2-yl) 3-chlorobenzenecarbothioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(5-chloro-1,3-benzoxazol-2-yl) 3-chlorobenzenecarbothioate?
The CAS number of S-(5-chloro-1,3-benzoxazol-2-yl) 3-chlorobenzenecarbothioate is 338750-73-5.
What is the molecular formula of S-(5-chloro-1,3-benzoxazol-2-yl) 3-chlorobenzenecarbothioate?
The molecular formula of S-(5-chloro-1,3-benzoxazol-2-yl) 3-chlorobenzenecarbothioate is C14H7Cl2NO2S.
What is the molecular weight of S-(5-chloro-1,3-benzoxazol-2-yl) 3-chlorobenzenecarbothioate?
The molecular weight of S-(5-chloro-1,3-benzoxazol-2-yl) 3-chlorobenzenecarbothioate is 322.96 g/mol.
Where can I buy S-(5-chloro-1,3-benzoxazol-2-yl) 3-chlorobenzenecarbothioate?
You can request a quote for S-(5-chloro-1,3-benzoxazol-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-(5-chloro-1,3-benzoxazol-2-yl) 3-chlorobenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(5-chloro-1,3-benzoxazol-2-yl) 3-chlorobenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.