Carbamothioic acid, phenyl-, S-(1-methylethyl) ester
TL;DR: Carbamothioic acid, phenyl-, S-(1-methylethyl) ester (CAS 10129-28-9) is a chemical compound with molecular formula C10H13NOS and molecular weight 195.0718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-propan-2-yl N-phenylcarbamothioate
Also Known As: S-isopropyl phenylthiocarbamate, S-propan-2-yl N-phenylcarbamothioate, S-isopropyl n-phenylthiolcarbamate, Carbamothioic acid, phenyl-, S-(1-methylethyl) ester, N-phenyl(propan-2-ylsulfanyl)formamide
Technical Specifications
| Molecular Formula | C10H13NOS |
| Molecular Weight | 195.0718 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.0718 Da |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
| SMILES | CC(C)SC(=O)NC1=CC=CC=C1 |
| InChIKey | FIFBHCAODLQDTA-UHFFFAOYSA-N |
Chemical Property Profile of Carbamothioic acid, phenyl-, S-(1-methylethyl) ester
Property Insights of Carbamothioic acid, phenyl-, S-(1-methylethyl) ester
The XLogP value of 3.2 indicates that Carbamothioic acid, phenyl-, S-(1-methylethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Carbamothioic acid, phenyl-, S-(1-methylethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, phenyl-, S-(1-methylethyl) ester has 1 hydrogen bond donor(s) and 2 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, phenyl-, S-(1-methylethyl) ester?
The CAS number of Carbamothioic acid, phenyl-, S-(1-methylethyl) ester is 10129-28-9.
What is the molecular formula of Carbamothioic acid, phenyl-, S-(1-methylethyl) ester?
The molecular formula of Carbamothioic acid, phenyl-, S-(1-methylethyl) ester is C10H13NOS.
What is the molecular weight of Carbamothioic acid, phenyl-, S-(1-methylethyl) ester?
The molecular weight of Carbamothioic acid, phenyl-, S-(1-methylethyl) ester is 195.0718 g/mol.
Where can I buy Carbamothioic acid, phenyl-, S-(1-methylethyl) ester?
You can request a quote for Carbamothioic acid, phenyl-, S-(1-methylethyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamothioic acid, phenyl-, S-(1-methylethyl) ester?
Yes, CoreyChem provides custom synthesis services for Carbamothioic acid, phenyl-, S-(1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.