2-巯基-2-甲基丙酸
TL;DR: 2-巯基-2-甲基丙酸 (CAS 4695-31-2) is a chemical compound with molecular formula C4H8O2S and molecular weight 120.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-巯基-2-甲基丙酸
2-methyl-2-sulfanylpropanoic acid
Also Known As: 2-Mercaptoisobutyric acid, 2-Mercapto-2-methylpropanoic acid, 2-Methyl-2-sulfanylpropanoic acid, Mercaptoisobutyric acid, 2-Mercaptoisobutyricacid
| Molecular Formula | C4H8O2S |
|---|---|
| Molecular Weight | 120.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 120.0245 |
| Heavy Atoms | 7 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 4695-31-2 |
|---|---|
| SMILES | CC(C)(C(=O)O)S |
| InChIKey | JTMBCYAUSCBSEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-巯基-2-甲基丙酸 (CAS 4695-31-2), with molecular formula C4H8O2S and molecular weight 120.02 g/mol. IUPAC: 2-methyl-2-sulfanylpropanoic acid.
Chemical Property Profile of 2-巯基-2-甲基丙酸
Property Insights of 2-巯基-2-甲基丙酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-巯基-2-甲基丙酸. With a topological polar surface area (TPSA) of 38.3 Ų, 2-巯基-2-甲基丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-巯基-2-甲基丙酸 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 2-巯基-2-甲基丙酸?
The CAS number of 2-巯基-2-甲基丙酸 is 4695-31-2.
What is the molecular formula of 2-巯基-2-甲基丙酸?
The molecular formula of 2-巯基-2-甲基丙酸 is C4H8O2S.
What is the molecular weight of 2-巯基-2-甲基丙酸?
The molecular weight of 2-巯基-2-甲基丙酸 is 120.02 g/mol.
Where can I buy 2-巯基-2-甲基丙酸?
You can request a quote for 2-巯基-2-甲基丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-巯基-2-甲基丙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-巯基-2-甲基丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.