2-((Phenylmethyl)thio)acetic acid
TL;DR: 2-((Phenylmethyl)thio)acetic acid (CAS 103-46-8) is a chemical compound with molecular formula C9H10O2S and molecular weight 182.04015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzylsulfanylacetic acid
Also Known As: (Benzylthio)acetic acid, 2-(Benzylthio)acetic acid, S-Benzylthioglycolic acid, Benzylmercaptoacetic acid, 2-(benzylsulfanyl)acetic acid
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O2S |
| Molecular Weight | 182.04015 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.04015 Da |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
| SMILES | C1=CC=C(C=C1)CSCC(=O)O |
| InChIKey | AWLVTQRRKPBQEQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-((Phenylmethyl)thio)acetic acid
Property Insights of 2-((Phenylmethyl)thio)acetic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Phenylmethyl)thio)acetic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((Phenylmethyl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((Phenylmethyl)thio)acetic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-((Phenylmethyl)thio)acetic acid?
The CAS number of 2-((Phenylmethyl)thio)acetic acid is 103-46-8.
What is the molecular formula of 2-((Phenylmethyl)thio)acetic acid?
The molecular formula of 2-((Phenylmethyl)thio)acetic acid is C9H10O2S.
What is the molecular weight of 2-((Phenylmethyl)thio)acetic acid?
The molecular weight of 2-((Phenylmethyl)thio)acetic acid is 182.04015 g/mol.
Where can I buy 2-((Phenylmethyl)thio)acetic acid?
You can request a quote for 2-((Phenylmethyl)thio)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((Phenylmethyl)thio)acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-((Phenylmethyl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.