2H-1-Benzopyran-3-carbothioamide, 2-imino-
TL;DR: 2H-1-Benzopyran-3-carbothioamide, 2-imino- (CAS 71796-72-0) is a chemical compound with molecular formula C10H8N2OS and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-iminochromene-3-carbothioamide
Also Known As: 2-iminochromene-3-carbothioamide, 2-imino-2H-chromene-3-carbothioamide, 2H-1-Benzopyran-3-carbothioamide, 2-imino-, 2-Imino-2H-1-benzopyran-3-carbothioamide, RefChem:268312
| Molecular Formula | C10H8N2OS |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.03574 |
| Heavy Atoms | 14 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 71796-72-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=N)O2)C(=S)N |
| InChIKey | QXIQQMYCQYUPPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-1-Benzopyran-3-carbothioamide, 2-imino- (CAS 71796-72-0), with molecular formula C10H8N2OS and molecular weight 204.04 g/mol. IUPAC: 2-iminochromene-3-carbothioamide.
Chemical Property Profile of 2H-1-Benzopyran-3-carbothioamide, 2-imino-
Property Insights of 2H-1-Benzopyran-3-carbothioamide, 2-imino-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-3-carbothioamide, 2-imino-. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran-3-carbothioamide, 2-imino-. Following Lipinski's Rule of Five, 2H-1-Benzopyran-3-carbothioamide, 2-imino- has 2 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 2H-1-Benzopyran-3-carbothioamide, 2-imino-?
The CAS number of 2H-1-Benzopyran-3-carbothioamide, 2-imino- is 71796-72-0.
What is the molecular formula of 2H-1-Benzopyran-3-carbothioamide, 2-imino-?
The molecular formula of 2H-1-Benzopyran-3-carbothioamide, 2-imino- is C10H8N2OS.
What is the molecular weight of 2H-1-Benzopyran-3-carbothioamide, 2-imino-?
The molecular weight of 2H-1-Benzopyran-3-carbothioamide, 2-imino- is 204.04 g/mol.
Where can I buy 2H-1-Benzopyran-3-carbothioamide, 2-imino-?
You can request a quote for 2H-1-Benzopyran-3-carbothioamide, 2-imino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-3-carbothioamide, 2-imino-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-3-carbothioamide, 2-imino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.