s-(Pentachlorophenyl) phenylcarbamothioate
TL;DR: s-(Pentachlorophenyl) phenylcarbamothioate (CAS 7157-34-8) is a chemical compound with molecular formula C13H6Cl5NOS and molecular weight 398.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2,3,4,5,6-pentachlorophenyl) N-phenylcarbamothioate
Also Known As: s-(pentachlorophenyl) phenylcarbamothioate, S-Pentachlorophenyl phenylcarbamothioate, S-(2,3,4,5,6-pentachlorophenyl) N-phenylcarbamothioate
| Molecular Formula | C13H6Cl5NOS |
|---|---|
| Molecular Weight | 398.86 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.86127 |
| Heavy Atoms | 21 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 7157-34-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)SC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl |
| InChIKey | WOTIYKVHGXYESS-UHFFFAOYSA-N |
Product Overview
s-(Pentachlorophenyl) phenylcarbamothioate (CAS 7157-34-8), with molecular formula C13H6Cl5NOS and molecular weight 398.86 g/mol. IUPAC: S-(2,3,4,5,6-pentachlorophenyl) N-phenylcarbamothioate.
Chemical Property Profile of s-(Pentachlorophenyl) phenylcarbamothioate
Property Insights of s-(Pentachlorophenyl) phenylcarbamothioate
The XLogP value of 6.7 indicates that s-(Pentachlorophenyl) phenylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, s-(Pentachlorophenyl) phenylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-(Pentachlorophenyl) phenylcarbamothioate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of s-(Pentachlorophenyl) phenylcarbamothioate?
The CAS number of s-(Pentachlorophenyl) phenylcarbamothioate is 7157-34-8.
What is the molecular formula of s-(Pentachlorophenyl) phenylcarbamothioate?
The molecular formula of s-(Pentachlorophenyl) phenylcarbamothioate is C13H6Cl5NOS.
What is the molecular weight of s-(Pentachlorophenyl) phenylcarbamothioate?
The molecular weight of s-(Pentachlorophenyl) phenylcarbamothioate is 398.86 g/mol.
Where can I buy s-(Pentachlorophenyl) phenylcarbamothioate?
You can request a quote for s-(Pentachlorophenyl) phenylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-(Pentachlorophenyl) phenylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for s-(Pentachlorophenyl) phenylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.