1,3-Thiazinan-2-one
TL;DR: 1,3-Thiazinan-2-one (CAS 14889-64-6) is a chemical compound with molecular formula C4H7NOS and molecular weight 117.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-thiazinan-2-one
Also Known As: 1,3-thiazinan-2-one, Oxotetrahydro-1,3-thiazin, Tetrahydro-2H-1,3-thiazin-2-on, 2H-1,3-Thiazin-2-one, tetrahydro-, tetrahydro-2h-1,3-thiazin-2-one
| Molecular Formula | C4H7NOS |
|---|---|
| Molecular Weight | 117.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 117.02483 |
| Heavy Atoms | 7 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 14889-64-6 |
|---|---|
| SMILES | C1CNC(=O)SC1 |
| InChIKey | SZLJIZCLWIILLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Thiazinan-2-one (CAS 14889-64-6), with molecular formula C4H7NOS and molecular weight 117.02 g/mol. IUPAC: 1,3-thiazinan-2-one.
Chemical Property Profile of 1,3-Thiazinan-2-one
Property Insights of 1,3-Thiazinan-2-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Thiazinan-2-one. With a topological polar surface area (TPSA) of 54.4 Ų, 1,3-Thiazinan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Thiazinan-2-one has 1 hydrogen bond donor(s) and 2 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-Thiazinan-2-one?
The CAS number of 1,3-Thiazinan-2-one is 14889-64-6.
What is the molecular formula of 1,3-Thiazinan-2-one?
The molecular formula of 1,3-Thiazinan-2-one is C4H7NOS.
What is the molecular weight of 1,3-Thiazinan-2-one?
The molecular weight of 1,3-Thiazinan-2-one is 117.02 g/mol.
Where can I buy 1,3-Thiazinan-2-one?
You can request a quote for 1,3-Thiazinan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Thiazinan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Thiazinan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.