N-Nitrosothialdine
TL;DR: N-Nitrosothialdine (CAS 81795-07-5) is a chemical compound with molecular formula C6H12N2OS2 and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trimethyl-5-nitroso-1,3,5-dithiazinane
Also Known As: N-Nitrosothialdine, 2,4,6-trimethyl-5-nitroso-1,3,5-dithiazinane, 4H-1,3,5-DITHIAZINE, DIHYDRO-5-NITROSO-2,4,6-TRIMETHYL-, Dihydro-5-nitroso-2,4,6-trimethyl-4H-1,3,5-dithiazine, 4H-1,3,5-Dithiazine, dihydro-2,4,6-trimethyl-5-nitroso-
| Molecular Formula | C6H12N2OS2 |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 83.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.03911 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
| Melting Point | 79 °C |
Chemical Identifiers
| CAS Number | 81795-07-5 |
|---|---|
| SMILES | CC1N(C(SC(S1)C)C)N=O |
| InChIKey | HAKZNKDZKQNRNW-UHFFFAOYSA-N |
Product Overview
N-Nitrosothialdine (CAS 81795-07-5), with molecular formula C6H12N2OS2 and molecular weight 192.04 g/mol. IUPAC: 2,4,6-trimethyl-5-nitroso-1,3,5-dithiazinane.
Chemical Property Profile of N-Nitrosothialdine
Property Insights of N-Nitrosothialdine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitrosothialdine. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Nitrosothialdine. Following Lipinski's Rule of Five, N-Nitrosothialdine has 0 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 N-Nitrosothialdine?
The CAS number of N-Nitrosothialdine is 81795-07-5.
What is the molecular formula of N-Nitrosothialdine?
The molecular formula of N-Nitrosothialdine is C6H12N2OS2.
What is the molecular weight of N-Nitrosothialdine?
The molecular weight of N-Nitrosothialdine is 192.04 g/mol.
Where can I buy N-Nitrosothialdine?
You can request a quote for N-Nitrosothialdine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitrosothialdine?
Yes, KEHONG BIO provides custom synthesis services for N-Nitrosothialdine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.