S-1,3-benzoxazol-2-yl 3,4-dichlorobenzenecarbothioate
TL;DR: S-1,3-benzoxazol-2-yl 3,4-dichlorobenzenecarbothioate (CAS 443640-21-9) 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-(1,3-benzoxazol-2-yl) 3,4-dichlorobenzenecarbothioate
Also Known As: S-1,3-benzoxazol-2-yl 3,4-dichlorobenzenecarbothioate, benzoxazol-2-ylthio 3,4-dichlorophenyl ketone, S-benzo[d]oxazol-2-yl 3,4-dichlorobenzothioate, S-(1,3-benzoxazol-2-yl) 3,4-dichlorobenzenecarbothioate, (1,3-BENZOXAZOL-2-YLSULFANYL)(3,4-DICHLOROPHENYL)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 | 767.72314 |
Chemical Identifiers
| CAS Number | 443640-21-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SC(=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
S-1,3-benzoxazol-2-yl 3,4-dichlorobenzenecarbothioate (CAS 443640-21-9), with molecular formula C14H7Cl2NO2S and molecular weight 322.96 g/mol. IUPAC: S-(1,3-benzoxazol-2-yl) 3,4-dichlorobenzenecarbothioate.
Chemical Property Profile of S-1,3-benzoxazol-2-yl 3,4-dichlorobenzenecarbothioate
Property Insights of S-1,3-benzoxazol-2-yl 3,4-dichlorobenzenecarbothioate
The XLogP value of 5.0671 indicates that S-1,3-benzoxazol-2-yl 3,4-dichlorobenzenecarbothioate 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-1,3-benzoxazol-2-yl 3,4-dichlorobenzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-1,3-benzoxazol-2-yl 3,4-dichlorobenzenecarbothioate 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-1,3-benzoxazol-2-yl 3,4-dichlorobenzenecarbothioate?
The CAS number of S-1,3-benzoxazol-2-yl 3,4-dichlorobenzenecarbothioate is 443640-21-9.
What is the molecular formula of S-1,3-benzoxazol-2-yl 3,4-dichlorobenzenecarbothioate?
The molecular formula of S-1,3-benzoxazol-2-yl 3,4-dichlorobenzenecarbothioate is C14H7Cl2NO2S.
What is the molecular weight of S-1,3-benzoxazol-2-yl 3,4-dichlorobenzenecarbothioate?
The molecular weight of S-1,3-benzoxazol-2-yl 3,4-dichlorobenzenecarbothioate is 322.96 g/mol.
Where can I buy S-1,3-benzoxazol-2-yl 3,4-dichlorobenzenecarbothioate?
You can request a quote for S-1,3-benzoxazol-2-yl 3,4-dichlorobenzenecarbothioate 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-benzoxazol-2-yl 3,4-dichlorobenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-1,3-benzoxazol-2-yl 3,4-dichlorobenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.