Acetic acid, 2-mercapto-, p-xylyl ester
TL;DR: Acetic acid, 2-mercapto-, p-xylyl ester (CAS 63906-40-1) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.0558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methylphenyl)methyl 2-sulfanylacetate
Also Known As: USAF B-2, p-Xylyl-2-thioglycolic acid, ACETIC ACID, 2-MERCAPTO-, p-XYLYL ESTER, (4-methylphenyl)methyl 2-sulfanylacetate, (4-Methylphenyl)methyl sulfanylacetate
Technical Specifications
| Molecular Formula | C10H12O2S |
| Molecular Weight | 196.0558 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.0558 Da |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
| SMILES | CC1=CC=C(C=C1)COC(=O)CS |
| InChIKey | GPCYSLOVWXRIDZ-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, 2-mercapto-, p-xylyl ester
Property Insights of Acetic acid, 2-mercapto-, p-xylyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-mercapto-, p-xylyl ester. With a topological polar surface area (TPSA) of 27.3 Ų, Acetic acid, 2-mercapto-, p-xylyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-mercapto-, p-xylyl ester 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 Acetic acid, 2-mercapto-, p-xylyl ester?
The CAS number of Acetic acid, 2-mercapto-, p-xylyl ester is 63906-40-1.
What is the molecular formula of Acetic acid, 2-mercapto-, p-xylyl ester?
The molecular formula of Acetic acid, 2-mercapto-, p-xylyl ester is C10H12O2S.
What is the molecular weight of Acetic acid, 2-mercapto-, p-xylyl ester?
The molecular weight of Acetic acid, 2-mercapto-, p-xylyl ester is 196.0558 g/mol.
Where can I buy Acetic acid, 2-mercapto-, p-xylyl ester?
You can request a quote for Acetic acid, 2-mercapto-, p-xylyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, 2-mercapto-, p-xylyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, 2-mercapto-, p-xylyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.