3-Methyl-2-thioxo-1,3-thiazinan-4-one
TL;DR: 3-Methyl-2-thioxo-1,3-thiazinan-4-one (CAS 7629-41-6) is a chemical compound with molecular formula C5H7NOS2 and molecular weight 161.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-sulfanylidene-1,3-thiazinan-4-one
Also Known As: 3-Methyl-2-thioxo-1,3-thiazinan-4-one, 3-methyl-4-oxo-1,3-thiazine-2-thione, 3-methyl-2-sulfanylidene-1,3-thiazinan-4-one, 4H-1, tetrahydro-3-methyl-2-thioxo-, 4H-1,3-Thiazin-4-one, tetrahydro-3-methyl-2-thioxo-
| Molecular Formula | C5H7NOS2 |
|---|---|
| Molecular Weight | 161.00 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.9969 |
| Heavy Atoms | 9 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 7629-41-6 |
|---|---|
| SMILES | CN1C(=O)CCSC1=S |
| InChIKey | CVMMZBDJORXNGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-2-thioxo-1,3-thiazinan-4-one (CAS 7629-41-6), with molecular formula C5H7NOS2 and molecular weight 161.00 g/mol. IUPAC: 3-methyl-2-sulfanylidene-1,3-thiazinan-4-one.
Chemical Property Profile of 3-Methyl-2-thioxo-1,3-thiazinan-4-one
Property Insights of 3-Methyl-2-thioxo-1,3-thiazinan-4-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-thioxo-1,3-thiazinan-4-one. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2-thioxo-1,3-thiazinan-4-one. Following Lipinski's Rule of Five, 3-Methyl-2-thioxo-1,3-thiazinan-4-one has 0 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 3-Methyl-2-thioxo-1,3-thiazinan-4-one?
The CAS number of 3-Methyl-2-thioxo-1,3-thiazinan-4-one is 7629-41-6.
What is the molecular formula of 3-Methyl-2-thioxo-1,3-thiazinan-4-one?
The molecular formula of 3-Methyl-2-thioxo-1,3-thiazinan-4-one is C5H7NOS2.
What is the molecular weight of 3-Methyl-2-thioxo-1,3-thiazinan-4-one?
The molecular weight of 3-Methyl-2-thioxo-1,3-thiazinan-4-one is 161.00 g/mol.
Where can I buy 3-Methyl-2-thioxo-1,3-thiazinan-4-one?
You can request a quote for 3-Methyl-2-thioxo-1,3-thiazinan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-thioxo-1,3-thiazinan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-thioxo-1,3-thiazinan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.