1-Thiocoumarin, 3-amino-4-(methylamino)-
TL;DR: 1-Thiocoumarin, 3-amino-4-(methylamino)- (CAS 66285-07-2) is a chemical compound with molecular formula C10H10N2OS and molecular weight 206.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(methylamino)thiochromen-2-one
Also Known As: 1-Thiocoumarin, 3-amino-4-(methylamino)-, 3-Amino-4-(methylamino)-1-thiocoumarin, 3-Amino-4-methylamino-thiocumarin, 3-amino-4-(methylamino)thiochromen-2-one, 2H-1-Benzothiopyran-2-one, 3-amino-4-(methylamino)-
| Molecular Formula | C10H10N2OS |
|---|---|
| Molecular Weight | 206.05 g/mol |
| LogP | 1.8854 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.05139 |
| Heavy Atoms | 14 |
| Complexity | 533.1233 |
Chemical Identifiers
| CAS Number | 66285-07-2 |
|---|---|
| SMILES | CNC1=C(C(=O)SC2=CC=CC=C21)N |
Product Overview
1-Thiocoumarin, 3-amino-4-(methylamino)- (CAS 66285-07-2), with molecular formula C10H10N2OS and molecular weight 206.05 g/mol. IUPAC: 3-amino-4-(methylamino)thiochromen-2-one.
Chemical Property Profile of 1-Thiocoumarin, 3-amino-4-(methylamino)-
Property Insights of 1-Thiocoumarin, 3-amino-4-(methylamino)-
The XLogP value of 1.8854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Thiocoumarin, 3-amino-4-(methylamino)-. With a topological polar surface area (TPSA) of 55.12 Ų, 1-Thiocoumarin, 3-amino-4-(methylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Thiocoumarin, 3-amino-4-(methylamino)- has 2 hydrogen bond donor(s) and 4 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 1-Thiocoumarin, 3-amino-4-(methylamino)-?
The CAS number of 1-Thiocoumarin, 3-amino-4-(methylamino)- is 66285-07-2.
What is the molecular formula of 1-Thiocoumarin, 3-amino-4-(methylamino)-?
The molecular formula of 1-Thiocoumarin, 3-amino-4-(methylamino)- is C10H10N2OS.
What is the molecular weight of 1-Thiocoumarin, 3-amino-4-(methylamino)-?
The molecular weight of 1-Thiocoumarin, 3-amino-4-(methylamino)- is 206.05 g/mol.
Where can I buy 1-Thiocoumarin, 3-amino-4-(methylamino)-?
You can request a quote for 1-Thiocoumarin, 3-amino-4-(methylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Thiocoumarin, 3-amino-4-(methylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Thiocoumarin, 3-amino-4-(methylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.