trichloromethylsulfanyl N-phenylcarbamodithioate
TL;DR: trichloromethylsulfanyl N-phenylcarbamodithioate (CAS 65331-37-5) is a chemical compound with molecular formula C8H6Cl3NS3 and molecular weight 316.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trichloromethylsulfanyl N-phenylcarbamodithioate
Also Known As: trichloromethylsulfanyl N-phenylcarbamodithioate, N-phenyl-1-(trichloromethyldisulfanyl)methanethioamide, ({[(Trichloromethyl)disulfanyl]carbonothioyl}amino)benzene, 2(1H)-Quinazolinethione,4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro, RefChem:385928
| Molecular Formula | C8H6Cl3NS3 |
|---|---|
| Molecular Weight | 316.87 g/mol |
| LogP | 5.0925 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.8728 |
| Heavy Atoms | 15 |
| Complexity | 325.6538 |
Chemical Identifiers
| CAS Number | 65331-37-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)SSC(Cl)(Cl)Cl |
Product Overview
trichloromethylsulfanyl N-phenylcarbamodithioate (CAS 65331-37-5), with molecular formula C8H6Cl3NS3 and molecular weight 316.87 g/mol. IUPAC: trichloromethylsulfanyl N-phenylcarbamodithioate.
Chemical Property Profile of trichloromethylsulfanyl N-phenylcarbamodithioate
Property Insights of trichloromethylsulfanyl N-phenylcarbamodithioate
The XLogP value of 5.0925 indicates that trichloromethylsulfanyl N-phenylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, trichloromethylsulfanyl N-phenylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trichloromethylsulfanyl N-phenylcarbamodithioate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of trichloromethylsulfanyl N-phenylcarbamodithioate?
The CAS number of trichloromethylsulfanyl N-phenylcarbamodithioate is 65331-37-5.
What is the molecular formula of trichloromethylsulfanyl N-phenylcarbamodithioate?
The molecular formula of trichloromethylsulfanyl N-phenylcarbamodithioate is C8H6Cl3NS3.
What is the molecular weight of trichloromethylsulfanyl N-phenylcarbamodithioate?
The molecular weight of trichloromethylsulfanyl N-phenylcarbamodithioate is 316.87 g/mol.
Where can I buy trichloromethylsulfanyl N-phenylcarbamodithioate?
You can request a quote for trichloromethylsulfanyl N-phenylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trichloromethylsulfanyl N-phenylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for trichloromethylsulfanyl N-phenylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.