S-amino benzenecarbothioate
TL;DR: S-amino benzenecarbothioate (CAS 25740-80-1) 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.
S-amino benzenecarbothioate
Also Known As: solid, Benzoylsulfamine, Benzoylthioamine, S-Benzoylsulfenamide, S-benzoylthiohydroxylamine
| Molecular Formula | C7H7NOS |
|---|---|
| Molecular Weight | 153.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.02484 |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 25740-80-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)SN |
| InChIKey | NEQRDYYMIIIVPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-amino benzenecarbothioate (CAS 25740-80-1), with molecular formula C7H7NOS and molecular weight 153.02 g/mol. IUPAC: S-amino benzenecarbothioate.
Chemical Property Profile of S-amino benzenecarbothioate
Property Insights of S-amino benzenecarbothioate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-amino benzenecarbothioate. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for S-amino benzenecarbothioate. Following Lipinski's Rule of Five, S-amino benzenecarbothioate has 1 hydrogen bond donor(s) and 3 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 S-amino benzenecarbothioate?
The CAS number of S-amino benzenecarbothioate is 25740-80-1.
What is the molecular formula of S-amino benzenecarbothioate?
The molecular formula of S-amino benzenecarbothioate is C7H7NOS.
What is the molecular weight of S-amino benzenecarbothioate?
The molecular weight of S-amino benzenecarbothioate is 153.02 g/mol.
Where can I buy S-amino benzenecarbothioate?
You can request a quote for S-amino benzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-amino benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-amino benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.