1,3,6-Oxadiazepine-2(3H)-thione, 4,5-dihydro-
TL;DR: 1,3,6-Oxadiazepine-2(3H)-thione, 4,5-dihydro- (CAS 85135-72-4) is a chemical compound with molecular formula C4H6N2OS and molecular weight 130.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydro-3H-1,3,6-oxadiazepine-2-thione
Also Known As: 1,3,6-Oxadiazepine-2(3H)-thione, 4,5-dihydro-, 4,5-dihydro-3H-1,3,6-oxadiazepine-2-thione, 4,5-Dihydro-1,3,6-oxadiazepine-2-thiol
| Molecular Formula | C4H6N2OS |
|---|---|
| Molecular Weight | 130.02 g/mol |
| LogP | -0.0806 |
| Topological Polar Surface Area | 33.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.02008 |
| Heavy Atoms | 8 |
| Complexity | 123.20672 |
Chemical Identifiers
| CAS Number | 85135-72-4 |
|---|---|
| SMILES | C1CN=COC(=S)N1 |
Product Overview
1,3,6-Oxadiazepine-2(3H)-thione, 4,5-dihydro- (CAS 85135-72-4), with molecular formula C4H6N2OS and molecular weight 130.02 g/mol. IUPAC: 4,5-dihydro-3H-1,3,6-oxadiazepine-2-thione.
Chemical Property Profile of 1,3,6-Oxadiazepine-2(3H)-thione, 4,5-dihydro-
Property Insights of 1,3,6-Oxadiazepine-2(3H)-thione, 4,5-dihydro-
The XLogP value of -0.0806 indicates that 1,3,6-Oxadiazepine-2(3H)-thione, 4,5-dihydro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.62 Ų, 1,3,6-Oxadiazepine-2(3H)-thione, 4,5-dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,6-Oxadiazepine-2(3H)-thione, 4,5-dihydro- has 1 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 1,3,6-Oxadiazepine-2(3H)-thione, 4,5-dihydro-?
The CAS number of 1,3,6-Oxadiazepine-2(3H)-thione, 4,5-dihydro- is 85135-72-4.
What is the molecular formula of 1,3,6-Oxadiazepine-2(3H)-thione, 4,5-dihydro-?
The molecular formula of 1,3,6-Oxadiazepine-2(3H)-thione, 4,5-dihydro- is C4H6N2OS.
What is the molecular weight of 1,3,6-Oxadiazepine-2(3H)-thione, 4,5-dihydro-?
The molecular weight of 1,3,6-Oxadiazepine-2(3H)-thione, 4,5-dihydro- is 130.02 g/mol.
Where can I buy 1,3,6-Oxadiazepine-2(3H)-thione, 4,5-dihydro-?
You can request a quote for 1,3,6-Oxadiazepine-2(3H)-thione, 4,5-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,6-Oxadiazepine-2(3H)-thione, 4,5-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,6-Oxadiazepine-2(3H)-thione, 4,5-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.