2-oxo-2H-chromene-3-carbothioamide
TL;DR: 2-oxo-2H-chromene-3-carbothioamide (CAS 6942-60-5) is a chemical compound with molecular formula C10H7NO2S and molecular weight 205.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxochromene-3-carbothioamide
Also Known As: 2-oxo-2H-chromene-3-carbothioamide, 2-oxochromene-3-carbothioamide, coumarin-3-thiocarboxamide, ChemDiv3_000150, 2-Oxo-2H-1-benzopyran-3-carbothioamide
| Molecular Formula | C10H7NO2S |
|---|---|
| Molecular Weight | 205.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.01974 |
| Heavy Atoms | 14 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 6942-60-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C(=S)N |
| InChIKey | NNHJYDSWYAVKNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-oxo-2H-chromene-3-carbothioamide (CAS 6942-60-5), with molecular formula C10H7NO2S and molecular weight 205.02 g/mol. IUPAC: 2-oxochromene-3-carbothioamide.
Chemical Property Profile of 2-oxo-2H-chromene-3-carbothioamide
Property Insights of 2-oxo-2H-chromene-3-carbothioamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-oxo-2H-chromene-3-carbothioamide. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-oxo-2H-chromene-3-carbothioamide. Following Lipinski's Rule of Five, 2-oxo-2H-chromene-3-carbothioamide 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 2-oxo-2H-chromene-3-carbothioamide?
The CAS number of 2-oxo-2H-chromene-3-carbothioamide is 6942-60-5.
What is the molecular formula of 2-oxo-2H-chromene-3-carbothioamide?
The molecular formula of 2-oxo-2H-chromene-3-carbothioamide is C10H7NO2S.
What is the molecular weight of 2-oxo-2H-chromene-3-carbothioamide?
The molecular weight of 2-oxo-2H-chromene-3-carbothioamide is 205.02 g/mol.
Where can I buy 2-oxo-2H-chromene-3-carbothioamide?
You can request a quote for 2-oxo-2H-chromene-3-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxo-2H-chromene-3-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2H-chromene-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.