1,4-Dithian-2-one, 5(or 6)-methyl-, O-((methylamino)carbonyl)oxime
TL;DR: 1,4-Dithian-2-one, 5(or 6)-methyl-, O-((methylamino)carbonyl)oxime (CAS 59379-68-9) is a chemical compound with molecular formula C7H12N2O2S2 and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(5-methyl-1,4-dithian-2-ylidene)amino] N-methylcarbamate
Also Known As: 5(or 6)-Methyl-1,4-dithian-2-one O-((methylamino)carbonyl)oxime, 1,4-DITHIAN-2-ONE, 5(or 6)-METHYL-, O-((METHYLAMINO)CARBONYL)OXIME, 1,4-Dithian-2-one, 5(or 6)-methyl-, O-[(methylamino)carbonyl]oxime, RefChem:220837
| Molecular Formula | C7H12N2O2S2 |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 1.5244 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.03403 |
| Heavy Atoms | 13 |
| Complexity | 210.53809 |
Chemical Identifiers
| CAS Number | 59379-68-9 |
|---|---|
| SMILES | CC1CS/C(=N/OC(=O)NC)/CS1 |
Product Overview
1,4-Dithian-2-one, 5(or 6)-methyl-, O-((methylamino)carbonyl)oxime (CAS 59379-68-9), with molecular formula C7H12N2O2S2 and molecular weight 220.03 g/mol. IUPAC: [(E)-(5-methyl-1,4-dithian-2-ylidene)amino] N-methylcarbamate.
Chemical Property Profile of 1,4-Dithian-2-one, 5(or 6)-methyl-, O-((methylamino)carbonyl)oxime
Property Insights of 1,4-Dithian-2-one, 5(or 6)-methyl-, O-((methylamino)carbonyl)oxime
The XLogP value of 1.5244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dithian-2-one, 5(or 6)-methyl-, O-((methylamino)carbonyl)oxime. With a topological polar surface area (TPSA) of 50.69 Ų, 1,4-Dithian-2-one, 5(or 6)-methyl-, O-((methylamino)carbonyl)oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dithian-2-one, 5(or 6)-methyl-, O-((methylamino)carbonyl)oxime has 1 hydrogen bond donor(s) and 5 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 1,4-Dithian-2-one, 5(or 6)-methyl-, O-((methylamino)carbonyl)oxime?
The CAS number of 1,4-Dithian-2-one, 5(or 6)-methyl-, O-((methylamino)carbonyl)oxime is 59379-68-9.
What is the molecular formula of 1,4-Dithian-2-one, 5(or 6)-methyl-, O-((methylamino)carbonyl)oxime?
The molecular formula of 1,4-Dithian-2-one, 5(or 6)-methyl-, O-((methylamino)carbonyl)oxime is C7H12N2O2S2.
What is the molecular weight of 1,4-Dithian-2-one, 5(or 6)-methyl-, O-((methylamino)carbonyl)oxime?
The molecular weight of 1,4-Dithian-2-one, 5(or 6)-methyl-, O-((methylamino)carbonyl)oxime is 220.03 g/mol.
Where can I buy 1,4-Dithian-2-one, 5(or 6)-methyl-, O-((methylamino)carbonyl)oxime?
You can request a quote for 1,4-Dithian-2-one, 5(or 6)-methyl-, O-((methylamino)carbonyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dithian-2-one, 5(or 6)-methyl-, O-((methylamino)carbonyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dithian-2-one, 5(or 6)-methyl-, O-((methylamino)carbonyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.