phenylcarbamothioic S-acid
TL;DR: phenylcarbamothioic S-acid (CAS 19804-05-8) 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.
phenylcarbamothioic S-acid
Also Known As: N-phenylthiurea, phenylcarbamothioic S-acid, phenylthiocarbamic acid, Anilinomethanethioic Acid, Carbamothioic acid, phenyl-
| Molecular Formula | C7H7NOS |
|---|---|
| Molecular Weight | 153.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 30.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.02484 |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 19804-05-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)S |
| InChIKey | BMBJSXKEXRFGAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
phenylcarbamothioic S-acid (CAS 19804-05-8), with molecular formula C7H7NOS and molecular weight 153.02 g/mol. IUPAC: phenylcarbamothioic S-acid.
Chemical Property Profile of phenylcarbamothioic S-acid
Property Insights of phenylcarbamothioic S-acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for phenylcarbamothioic S-acid. With a topological polar surface area (TPSA) of 30.1 Ų, phenylcarbamothioic S-acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, phenylcarbamothioic S-acid has 2 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 phenylcarbamothioic S-acid?
The CAS number of phenylcarbamothioic S-acid is 19804-05-8.
What is the molecular formula of phenylcarbamothioic S-acid?
The molecular formula of phenylcarbamothioic S-acid is C7H7NOS.
What is the molecular weight of phenylcarbamothioic S-acid?
The molecular weight of phenylcarbamothioic S-acid is 153.02 g/mol.
Where can I buy phenylcarbamothioic S-acid?
You can request a quote for phenylcarbamothioic S-acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phenylcarbamothioic S-acid?
Yes, KEHONG BIO provides custom synthesis services for phenylcarbamothioic S-acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.