Carbamothioic acid der.
TL;DR: Carbamothioic acid der. (CAS 165549-68-8) is a chemical compound with molecular formula C15H21ClN2O2S and molecular weight 328.10123 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-propan-2-yl N-[4-chloro-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]carbamothioate
Also Known As: Carbamothioic acid der., UC32, UC 32, (3-(tert-Butoxyimino-methyl)-4-chloro-phenyl)-thiocarbamic acid, O-isopropyl ester, Carbamothioic acid, (4-chloro-3-(((1,1-dimethylethoxy)imino)methyl)phenyl)-, O-(1-methylethyl) ester
Technical Specifications
| Molecular Formula | C15H21ClN2O2S |
| Molecular Weight | 328.10123 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.10123 Da |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
| SMILES | CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)/C=N/OC(C)(C)C |
| InChIKey | RCXQHLSNKCYCLP-RQZCQDPDSA-N |
Chemical Property Profile of Carbamothioic acid der.
Property Insights of Carbamothioic acid der.
The XLogP value of 4.6 indicates that Carbamothioic acid der. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamothioic acid der.. Following Lipinski's Rule of Five, Carbamothioic acid der. has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbamothioic acid der.?
The CAS number of Carbamothioic acid der. is 165549-68-8.
What is the molecular formula of Carbamothioic acid der.?
The molecular formula of Carbamothioic acid der. is C15H21ClN2O2S.
What is the molecular weight of Carbamothioic acid der.?
The molecular weight of Carbamothioic acid der. is 328.10123 g/mol.
Where can I buy Carbamothioic acid der.?
You can request a quote for Carbamothioic acid der. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamothioic acid der.?
Yes, CoreyChem provides custom synthesis services for Carbamothioic acid der. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.