![Propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis- structure](/static/products/1030/1030-02-0.webp)
Propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis-
TL;DR: Propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis- (CAS 1030-02-0) is a chemical compound with molecular formula C13H16O4S2 and molecular weight 300.049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-carboxyethylsulfanyl(phenyl)methyl]sulfanylpropanoic acid
Also Known As: 3,3'-(Benzylidenedithio)dipropanoic acid, Phenyl-di(carboxyethylthio)methane, 4,6-Dithianonanedioic acid, 5-phenyl-, 3,3'-[(Phenylmethylene)bis(thio)]bispropionic acid, propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis-
Technical Specifications
| Molecular Formula | C13H16O4S2 |
| Molecular Weight | 300.049 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 300.049 Da |
| Heavy Atoms | 19 |
| Complexity | 270.0 |
| SMILES | C1=CC=C(C=C1)C(SCCC(=O)O)SCCC(=O)O |
| InChIKey | KSXRJLUOKLRLEN-UHFFFAOYSA-N |
Chemical Property Profile of Propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis-
Property Insights of Propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis-. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis-. Following Lipinski's Rule of Five, Propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis- has 2 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 Propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis-?
The CAS number of Propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis- is 1030-02-0.
What is the molecular formula of Propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis-?
The molecular formula of Propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis- is C13H16O4S2.
What is the molecular weight of Propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis-?
The molecular weight of Propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis- is 300.049 g/mol.
Where can I buy Propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis-?
You can request a quote for Propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis-?
Yes, CoreyChem provides custom synthesis services for Propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.