1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)-
TL;DR: 1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)- (CAS 70733-98-1) is a chemical compound with molecular formula C11H13NO4S and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanethione
Also Known As: 4-(3,4,5-Trihydroxythiobenzoyl)morpholine, Morpholine, 4-(3,4,5-trihydroxythiobenzoyl)-, 1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)-, 4-(3,4,5-trihydroxy-thiobenzoyl)-morpholine, 5-(Morpholinocarbonothioyl)-1,2,3-benzenetriol
| Molecular Formula | C11H13NO4S |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 0.8111 |
| Topological Polar Surface Area | 73.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.05653 |
| Heavy Atoms | 17 |
| Complexity | 420.0927 |
Chemical Identifiers
| CAS Number | 70733-98-1 |
|---|---|
| SMILES | C1COCCN1C(=S)C2=CC(=C(C(=C2)O)O)O |
Product Overview
1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)- (CAS 70733-98-1), with molecular formula C11H13NO4S and molecular weight 255.06 g/mol. IUPAC: morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanethione.
Chemical Property Profile of 1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)-
Property Insights of 1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)-
The XLogP value of 0.8111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)-. The TPSA of 73.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)-. Following Lipinski's Rule of Five, 1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)- has 3 hydrogen bond donor(s) and 5 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 1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)-?
The CAS number of 1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)- is 70733-98-1.
What is the molecular formula of 1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)-?
The molecular formula of 1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)- is C11H13NO4S.
What is the molecular weight of 1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)-?
The molecular weight of 1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)- is 255.06 g/mol.
Where can I buy 1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)-?
You can request a quote for 1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Benzenetriol, 5-(morpholinothiocarbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.