4-Morpholinecarbo(dithioperoxo)thioic acid, 2-carboxyphenyl ester
TL;DR: 4-Morpholinecarbo(dithioperoxo)thioic acid, 2-carboxyphenyl ester (CAS 62911-19-7) is a chemical compound with molecular formula C12H13NO3S3 and molecular weight 315.00577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(morpholine-4-carbothioyldisulfanyl)benzoic acid
Also Known As: 2-(morpholine-4-carbothioyldisulfanyl)benzoic acid, 4-Morpholinecarbo(dithioperoxo)thioic acid, 2-carboxyphenyl ester, o-Carboxyphenyl N,N-3-oxapentamethylenetrithiopercarbamate, 2-[(morpholin-4-ylcarbothioyl)disulfanyl]benzoic acid, 2-[(4-Morpholinylthioxomethyl)dithio]benzoic acid
Technical Specifications
| Molecular Formula | C12H13NO3S3 |
| Molecular Weight | 315.00577 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.00577 Da |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
| SMILES | C1COCCN1C(=S)SSC2=CC=CC=C2C(=O)O |
| InChIKey | IQRJUUNHTPACIW-UHFFFAOYSA-N |
Chemical Property Profile of 4-Morpholinecarbo(dithioperoxo)thioic acid, 2-carboxyphenyl ester
Property Insights of 4-Morpholinecarbo(dithioperoxo)thioic acid, 2-carboxyphenyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Morpholinecarbo(dithioperoxo)thioic acid, 2-carboxyphenyl ester. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Morpholinecarbo(dithioperoxo)thioic acid, 2-carboxyphenyl ester. Following Lipinski's Rule of Five, 4-Morpholinecarbo(dithioperoxo)thioic acid, 2-carboxyphenyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Morpholinecarbo(dithioperoxo)thioic acid, 2-carboxyphenyl ester?
The CAS number of 4-Morpholinecarbo(dithioperoxo)thioic acid, 2-carboxyphenyl ester is 62911-19-7.
What is the molecular formula of 4-Morpholinecarbo(dithioperoxo)thioic acid, 2-carboxyphenyl ester?
The molecular formula of 4-Morpholinecarbo(dithioperoxo)thioic acid, 2-carboxyphenyl ester is C12H13NO3S3.
What is the molecular weight of 4-Morpholinecarbo(dithioperoxo)thioic acid, 2-carboxyphenyl ester?
The molecular weight of 4-Morpholinecarbo(dithioperoxo)thioic acid, 2-carboxyphenyl ester is 315.00577 g/mol.
Where can I buy 4-Morpholinecarbo(dithioperoxo)thioic acid, 2-carboxyphenyl ester?
You can request a quote for 4-Morpholinecarbo(dithioperoxo)thioic acid, 2-carboxyphenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Morpholinecarbo(dithioperoxo)thioic acid, 2-carboxyphenyl ester?
Yes, CoreyChem provides custom synthesis services for 4-Morpholinecarbo(dithioperoxo)thioic acid, 2-carboxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.