((苯硫代甲基)硫基)乙酸
TL;DR: ((苯硫代甲基)硫基)乙酸 (CAS 942-91-6) is a chemical compound with molecular formula C9H8O2S2 and molecular weight 212.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
((苯硫代甲基)硫基)乙酸
2-(benzenecarbonothioylsulfanyl)acetic acid
Also Known As: S-(Thiobenzoyl)thioglycolic acid, 2-((Phenylcarbonothioyl)thio)acetic acid, Harvesan, Lustre, Alert
| Molecular Formula | C9H8O2S2 |
|---|---|
| Molecular Weight | 212.00 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.99657 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 942-91-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=S)SCC(=O)O |
| InChIKey | XBEIANFIOZTEDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
((苯硫代甲基)硫基)乙酸 (CAS 942-91-6), with molecular formula C9H8O2S2 and molecular weight 212.00 g/mol. IUPAC: 2-(benzenecarbonothioylsulfanyl)acetic acid.
Chemical Property Profile of ((苯硫代甲基)硫基)乙酸
Property Insights of ((苯硫代甲基)硫基)乙酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((苯硫代甲基)硫基)乙酸. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ((苯硫代甲基)硫基)乙酸. Following Lipinski's Rule of Five, ((苯硫代甲基)硫基)乙酸 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ((苯硫代甲基)硫基)乙酸?
The CAS number of ((苯硫代甲基)硫基)乙酸 is 942-91-6.
What is the molecular formula of ((苯硫代甲基)硫基)乙酸?
The molecular formula of ((苯硫代甲基)硫基)乙酸 is C9H8O2S2.
What is the molecular weight of ((苯硫代甲基)硫基)乙酸?
The molecular weight of ((苯硫代甲基)硫基)乙酸 is 212.00 g/mol.
Where can I buy ((苯硫代甲基)硫基)乙酸?
You can request a quote for ((苯硫代甲基)硫基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((苯硫代甲基)硫基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for ((苯硫代甲基)硫基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.