1,3-Dithian-5-one, 2-methyl-, oxime
TL;DR: 1,3-Dithian-5-one, 2-methyl-, oxime (CAS 61367-31-5) is a chemical compound with molecular formula C5H9NOS2 and molecular weight 163.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methyl-1,3-dithian-5-ylidene)hydroxylamine
Also Known As: Maybridge1_003084, 1,3-Dithian-5-one, 2-methyl-, oxime, N-(2-methyl-1,3-dithian-5-ylidene)hydroxylamine
| Molecular Formula | C5H9NOS2 |
|---|---|
| Molecular Weight | 163.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.01256 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 61367-31-5 |
|---|---|
| SMILES | CC1SCC(=NO)CS1 |
| InChIKey | OUZWFENJUSTURB-UHFFFAOYSA-N |
Product Overview
1,3-Dithian-5-one, 2-methyl-, oxime (CAS 61367-31-5), with molecular formula C5H9NOS2 and molecular weight 163.01 g/mol. IUPAC: N-(2-methyl-1,3-dithian-5-ylidene)hydroxylamine.
Chemical Property Profile of 1,3-Dithian-5-one, 2-methyl-, oxime
Property Insights of 1,3-Dithian-5-one, 2-methyl-, oxime
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithian-5-one, 2-methyl-, oxime. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithian-5-one, 2-methyl-, oxime. Following Lipinski's Rule of Five, 1,3-Dithian-5-one, 2-methyl-, oxime has 1 hydrogen bond donor(s) and 4 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 1,3-Dithian-5-one, 2-methyl-, oxime?
The CAS number of 1,3-Dithian-5-one, 2-methyl-, oxime is 61367-31-5.
What is the molecular formula of 1,3-Dithian-5-one, 2-methyl-, oxime?
The molecular formula of 1,3-Dithian-5-one, 2-methyl-, oxime is C5H9NOS2.
What is the molecular weight of 1,3-Dithian-5-one, 2-methyl-, oxime?
The molecular weight of 1,3-Dithian-5-one, 2-methyl-, oxime is 163.01 g/mol.
Where can I buy 1,3-Dithian-5-one, 2-methyl-, oxime?
You can request a quote for 1,3-Dithian-5-one, 2-methyl-, oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithian-5-one, 2-methyl-, oxime?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithian-5-one, 2-methyl-, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.