1,4-Dithiepan-6-one, O-((methylamino)carbonyl)oxime
TL;DR: 1,4-Dithiepan-6-one, O-((methylamino)carbonyl)oxime (CAS 27749-05-9) 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.
(1,4-dithiepan-6-ylideneamino) N-methylcarbamate
Also Known As: PP 156, AI3-27810, KST-1A3407, 1,4-Dithiepan-6-one, O-((methylamino)carbonyl)oxime, 1,4-Dithiepan-6-one, O-(methylcarbamoyl)oxime
| Molecular Formula | C7H12N2O2S2 |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.03403 |
| Heavy Atoms | 13 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 27749-05-9 |
|---|---|
| SMILES | CNC(=O)ON=C1CSCCSC1 |
| InChIKey | BAOASBHKXVPXGC-UHFFFAOYSA-N |
Product Overview
1,4-Dithiepan-6-one, O-((methylamino)carbonyl)oxime (CAS 27749-05-9), with molecular formula C7H12N2O2S2 and molecular weight 220.03 g/mol. IUPAC: (1,4-dithiepan-6-ylideneamino) N-methylcarbamate.
Chemical Property Profile of 1,4-Dithiepan-6-one, O-((methylamino)carbonyl)oxime
Property Insights of 1,4-Dithiepan-6-one, O-((methylamino)carbonyl)oxime
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dithiepan-6-one, O-((methylamino)carbonyl)oxime. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dithiepan-6-one, O-((methylamino)carbonyl)oxime. Following Lipinski's Rule of Five, 1,4-Dithiepan-6-one, 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-Dithiepan-6-one, O-((methylamino)carbonyl)oxime?
The CAS number of 1,4-Dithiepan-6-one, O-((methylamino)carbonyl)oxime is 27749-05-9.
What is the molecular formula of 1,4-Dithiepan-6-one, O-((methylamino)carbonyl)oxime?
The molecular formula of 1,4-Dithiepan-6-one, O-((methylamino)carbonyl)oxime is C7H12N2O2S2.
What is the molecular weight of 1,4-Dithiepan-6-one, O-((methylamino)carbonyl)oxime?
The molecular weight of 1,4-Dithiepan-6-one, O-((methylamino)carbonyl)oxime is 220.03 g/mol.
Where can I buy 1,4-Dithiepan-6-one, O-((methylamino)carbonyl)oxime?
You can request a quote for 1,4-Dithiepan-6-one, 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-Dithiepan-6-one, O-((methylamino)carbonyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dithiepan-6-one, O-((methylamino)carbonyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.