1-Propanesulfinic acid, 2-methyl-, methyl ester
TL;DR: 1-Propanesulfinic acid, 2-methyl-, methyl ester (CAS 56909-12-7) is a chemical compound with molecular formula C5H12O2S and molecular weight 136.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methylpropane-1-sulfinate
Also Known As: methyl 2-methylpropane-1-sulfinate, Methyl 2-methyl-1-propanesulfinate, 2-Methyl-1-propanesulfinicacidmethylester, Methyl 2-methyl-1-propanesulfinate #, 2-Methyl-1-propanesulfinic acid methyl ester
| Molecular Formula | C5H12O2S |
|---|---|
| Molecular Weight | 136.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.0558 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 56909-12-7 |
|---|---|
| SMILES | CC(C)CS(=O)OC |
| InChIKey | CXACAGZBDYTWAR-UHFFFAOYSA-N |
Product Overview
1-Propanesulfinic acid, 2-methyl-, methyl ester (CAS 56909-12-7), with molecular formula C5H12O2S and molecular weight 136.06 g/mol. IUPAC: methyl 2-methylpropane-1-sulfinate.
Chemical Property Profile of 1-Propanesulfinic acid, 2-methyl-, methyl ester
Property Insights of 1-Propanesulfinic acid, 2-methyl-, methyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanesulfinic acid, 2-methyl-, methyl ester. With a topological polar surface area (TPSA) of 45.5 Ų, 1-Propanesulfinic acid, 2-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanesulfinic acid, 2-methyl-, methyl ester has 0 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 1-Propanesulfinic acid, 2-methyl-, methyl ester?
The CAS number of 1-Propanesulfinic acid, 2-methyl-, methyl ester is 56909-12-7.
What is the molecular formula of 1-Propanesulfinic acid, 2-methyl-, methyl ester?
The molecular formula of 1-Propanesulfinic acid, 2-methyl-, methyl ester is C5H12O2S.
What is the molecular weight of 1-Propanesulfinic acid, 2-methyl-, methyl ester?
The molecular weight of 1-Propanesulfinic acid, 2-methyl-, methyl ester is 136.06 g/mol.
Where can I buy 1-Propanesulfinic acid, 2-methyl-, methyl ester?
You can request a quote for 1-Propanesulfinic acid, 2-methyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanesulfinic acid, 2-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanesulfinic acid, 2-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.