Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)
TL;DR: Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1) (CAS 102582-86-5) is a chemical compound with molecular formula C14H23NO5S and molecular weight 317.1297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylsulfanylacetic acid
Also Known As: (Phenylthio)acetic acid triethanolamine, ACETIC ACID, (PHENYLTHIO)-, compd. with 2,2',2''-NITRILOTRISETHANOL (1:1), (Phenylthio)acetic acid compd. with 2,2',2''-nitrilotrisethanol (1:1), 2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylsulfanylacetic acid, (phenylsulfanyl)acetic acid-2,2',2''-nitrilotriethanol(1:1)
Technical Specifications
| Molecular Formula | C14H23NO5S |
| Molecular Weight | 317.1297 g/mol |
| XLogP | 0.13 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 317.1297 Da |
| Heavy Atoms | 21 |
| Complexity | 186.0 |
| SMILES | C1=CC=C(C=C1)SCC(=O)O.C(CO)N(CCO)CCO |
| InChIKey | VHHHJXGQUPSILG-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)
Property Insights of Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)
The XLogP value of 0.13 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1). The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1). Following Lipinski's Rule of Five, Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1) has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)?
The CAS number of Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1) is 102582-86-5.
What is the molecular formula of Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)?
The molecular formula of Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1) is C14H23NO5S.
What is the molecular weight of Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)?
The molecular weight of Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1) is 317.1297 g/mol.
Where can I buy Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)?
You can request a quote for Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)?
Yes, CoreyChem provides custom synthesis services for Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.