3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester
TL;DR: 3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester (CAS 126560-55-2) is a chemical compound with molecular formula C9H17NOS2 and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-methyl-1,3-oxazolidine-3-carbodithioate
Also Known As: Butyl 2-methyl-3-oxazolidinecarbodithioate, butyl 2-methyl-1,3-oxazolidine-3-carbodithioate, 3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester, 3-Oxazolidinecarbodithioicacid, 2-methyl-, butyl ester, RefChem:1068389
| Molecular Formula | C9H17NOS2 |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 2.4828 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.07515 |
| Heavy Atoms | 13 |
| Complexity | 174.99763 |
Chemical Identifiers
| CAS Number | 126560-55-2 |
|---|---|
| SMILES | CCCCSC(=S)N1CCOC1C |
Product Overview
3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester (CAS 126560-55-2), with molecular formula C9H17NOS2 and molecular weight 219.08 g/mol. IUPAC: butyl 2-methyl-1,3-oxazolidine-3-carbodithioate.
Chemical Property Profile of 3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester
Property Insights of 3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester
The XLogP value of 2.4828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester. With a topological polar surface area (TPSA) of 12.47 Ų, 3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl 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 3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester?
The CAS number of 3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester is 126560-55-2.
What is the molecular formula of 3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester?
The molecular formula of 3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester is C9H17NOS2.
What is the molecular weight of 3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester?
The molecular weight of 3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester is 219.08 g/mol.
Where can I buy 3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester?
You can request a quote for 3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxazolidinecarbodithioic acid, 2-methyl-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.