巯基乙酸
TL;DR: 巯基乙酸 (CAS 68-11-1) is a chemical compound with molecular formula C2H4O2S and molecular weight 91.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
巯基乙酸
2-sulfanylacetic acid
Also Known As: mercaptoacetic acid, thioglycolic acid, Thioglycollic acid, Sulfanylacetic acid, 2-Mercaptoacetic acid
| Molecular Formula | C2H4O2S |
|---|---|
| Molecular Weight | 91.99 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 91.9932 |
| Heavy Atoms | 5 |
| Complexity | 42.0 |
| Melting Point | -16.5 °C |
| Boiling Point | 120.0 °C at 20 mmHg |
| Density | 1.3253 at 20.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 64 °F (NTP, 1992) |
| Flash Point | 112.8 °C |
| Vapor Pressure | 10 mmHg at 17.8 °C |
| Refractive Index | 1.5080 at 20 °C |
Chemical Identifiers
| CAS Number | 68-11-1 |
|---|---|
| SMILES | C(C(=O)O)S |
| InChIKey | CWERGRDVMFNCDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
巯基乙酸 (CAS 68-11-1), with molecular formula C2H4O2S and molecular weight 91.99 g/mol. IUPAC: 2-sulfanylacetic acid.
Chemical Property Profile of 巯基乙酸
Property Insights of 巯基乙酸
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 巯基乙酸. With a topological polar surface area (TPSA) of 38.3 Ų, 巯基乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 巯基乙酸 has 2 hydrogen bond donor(s) and 3 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 巯基乙酸?
The CAS number of 巯基乙酸 is 68-11-1.
What is the molecular formula of 巯基乙酸?
The molecular formula of 巯基乙酸 is C2H4O2S.
What is the molecular weight of 巯基乙酸?
The molecular weight of 巯基乙酸 is 91.99 g/mol.
Where can I buy 巯基乙酸?
You can request a quote for 巯基乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 巯基乙酸?
Yes, KEHONG BIO provides custom synthesis services for 巯基乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.