Carbamothioic acid, O-phenyl ester
TL;DR: Carbamothioic acid, O-phenyl ester (CAS 824-88-4) is a chemical compound with molecular formula C7H7NOS and molecular weight 153.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-phenyl carbamothioate
Also Known As: O-phenyl carbamothioate, Phenylthiocarbamate, phenyl thiocarbamate, phenoxymethanethioamide, Carbamothioic acid, O-phenyl ester
| Molecular Formula | C7H7NOS |
|---|---|
| Molecular Weight | 153.02 g/mol |
| LogP | 1.309 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.02484 |
| Heavy Atoms | 10 |
| Complexity | 222.30753 |
Chemical Identifiers
| CAS Number | 824-88-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=S)N |
Product Overview
Carbamothioic acid, O-phenyl ester (CAS 824-88-4), with molecular formula C7H7NOS and molecular weight 153.02 g/mol. IUPAC: O-phenyl carbamothioate.
Chemical Property Profile of Carbamothioic acid, O-phenyl ester
Property Insights of Carbamothioic acid, O-phenyl ester
The XLogP value of 1.309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamothioic acid, O-phenyl ester. With a topological polar surface area (TPSA) of 35.25 Ų, Carbamothioic acid, O-phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, O-phenyl 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
Frequently Asked Questions
What is the CAS number of Carbamothioic acid, O-phenyl ester?
The CAS number of Carbamothioic acid, O-phenyl ester is 824-88-4.
What is the molecular formula of Carbamothioic acid, O-phenyl ester?
The molecular formula of Carbamothioic acid, O-phenyl ester is C7H7NOS.
What is the molecular weight of Carbamothioic acid, O-phenyl ester?
The molecular weight of Carbamothioic acid, O-phenyl ester is 153.02 g/mol.
Where can I buy Carbamothioic acid, O-phenyl ester?
You can request a quote for Carbamothioic acid, O-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, O-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, O-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.