N-Methyl-N-(3-(trifluoromethyl)phenyl)carbamothiol chloride
TL;DR: N-Methyl-N-(3-(trifluoromethyl)phenyl)carbamothiol chloride (CAS 83508-62-7) is a chemical compound with molecular formula C9H7ClF3NS and molecular weight 252.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-[3-(trifluoromethyl)phenyl]carbamothioyl chloride
Also Known As: N-Methyl-N-(3-trifluoromethylphenyl)-thiocarbamoyl chloride, N-methyl-N-[3-(trifluoromethyl)phenyl]carbamothioyl chloride, N-METHYL-N- -THIOCARBAMOYLCHLORIDE, n-methyl-n-(3-trifluoromethylphenyl)-thiocarbamoylchloride, Carbamothioic chloride,methyl[3-(trifluoromethyl)phenyl]- (9CI)
| Molecular Formula | C9H7ClF3NS |
|---|---|
| Molecular Weight | 252.99 g/mol |
| LogP | 3.6653 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.99399 |
| Heavy Atoms | 15 |
| Complexity | 377.86536 |
Chemical Identifiers
| CAS Number | 83508-62-7 |
|---|---|
| SMILES | CN(C1=CC=CC(=C1)C(F)(F)F)C(=S)Cl |
Product Overview
N-Methyl-N-(3-(trifluoromethyl)phenyl)carbamothiol chloride (CAS 83508-62-7), with molecular formula C9H7ClF3NS and molecular weight 252.99 g/mol. IUPAC: N-methyl-N-[3-(trifluoromethyl)phenyl]carbamothioyl chloride.
Chemical Property Profile of N-Methyl-N-(3-(trifluoromethyl)phenyl)carbamothiol chloride
Property Insights of N-Methyl-N-(3-(trifluoromethyl)phenyl)carbamothiol chloride
The XLogP value of 3.6653 indicates that N-Methyl-N-(3-(trifluoromethyl)phenyl)carbamothiol chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, N-Methyl-N-(3-(trifluoromethyl)phenyl)carbamothiol chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-N-(3-(trifluoromethyl)phenyl)carbamothiol chloride has 0 hydrogen bond donor(s) and 1 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 N-Methyl-N-(3-(trifluoromethyl)phenyl)carbamothiol chloride?
The CAS number of N-Methyl-N-(3-(trifluoromethyl)phenyl)carbamothiol chloride is 83508-62-7.
What is the molecular formula of N-Methyl-N-(3-(trifluoromethyl)phenyl)carbamothiol chloride?
The molecular formula of N-Methyl-N-(3-(trifluoromethyl)phenyl)carbamothiol chloride is C9H7ClF3NS.
What is the molecular weight of N-Methyl-N-(3-(trifluoromethyl)phenyl)carbamothiol chloride?
The molecular weight of N-Methyl-N-(3-(trifluoromethyl)phenyl)carbamothiol chloride is 252.99 g/mol.
Where can I buy N-Methyl-N-(3-(trifluoromethyl)phenyl)carbamothiol chloride?
You can request a quote for N-Methyl-N-(3-(trifluoromethyl)phenyl)carbamothiol chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-N-(3-(trifluoromethyl)phenyl)carbamothiol chloride?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-N-(3-(trifluoromethyl)phenyl)carbamothiol chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.