8-allyl-2-imino-2H-chromene-3-carbothioamide
TL;DR: 8-allyl-2-imino-2H-chromene-3-carbothioamide (CAS 337496-52-3) is a chemical compound with molecular formula C13H12N2OS and molecular weight 244.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-imino-8-prop-2-enylchromene-3-carbothioamide
Also Known As: TimTec1_008391, 8-allyl-2-imino-2H-chromene-3-carbothioamide, BAS 01316987, 2-imino-8-prop-2-enylchromene-3-carbothioamide, 8-Allyl-2-imino-2H-chromene-3-carbothioic acid amide
| Molecular Formula | C13H12N2OS |
|---|---|
| Molecular Weight | 244.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.06703 |
| Heavy Atoms | 17 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 337496-52-3 |
|---|---|
| SMILES | C=CCC1=CC=CC2=C1OC(=N)C(=C2)C(=S)N |
| InChIKey | HSWPLXCQBVXLCT-UHFFFAOYSA-N |
Product Overview
8-allyl-2-imino-2H-chromene-3-carbothioamide (CAS 337496-52-3), with molecular formula C13H12N2OS and molecular weight 244.07 g/mol. IUPAC: 2-imino-8-prop-2-enylchromene-3-carbothioamide.
Chemical Property Profile of 8-allyl-2-imino-2H-chromene-3-carbothioamide
Property Insights of 8-allyl-2-imino-2H-chromene-3-carbothioamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-allyl-2-imino-2H-chromene-3-carbothioamide. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-allyl-2-imino-2H-chromene-3-carbothioamide. Following Lipinski's Rule of Five, 8-allyl-2-imino-2H-chromene-3-carbothioamide 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 8-allyl-2-imino-2H-chromene-3-carbothioamide?
The CAS number of 8-allyl-2-imino-2H-chromene-3-carbothioamide is 337496-52-3.
What is the molecular formula of 8-allyl-2-imino-2H-chromene-3-carbothioamide?
The molecular formula of 8-allyl-2-imino-2H-chromene-3-carbothioamide is C13H12N2OS.
What is the molecular weight of 8-allyl-2-imino-2H-chromene-3-carbothioamide?
The molecular weight of 8-allyl-2-imino-2H-chromene-3-carbothioamide is 244.07 g/mol.
Where can I buy 8-allyl-2-imino-2H-chromene-3-carbothioamide?
You can request a quote for 8-allyl-2-imino-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 8-allyl-2-imino-2H-chromene-3-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 8-allyl-2-imino-2H-chromene-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.