3,4-Dihydro-2,2-dimethyl-6-(methylthio)-4-oxo-2H-1,3-thiazine-5-carbonitrile
TL;DR: 3,4-Dihydro-2,2-dimethyl-6-(methylthio)-4-oxo-2H-1,3-thiazine-5-carbonitrile (CAS 33183-89-0) is a chemical compound with molecular formula C8H10N2OS2 and molecular weight 214.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-6-methylsulfanyl-4-oxo-3H-1,3-thiazine-5-carbonitrile
Also Known As: Maybridge1_002896, DivK1c_001648, CDS1_000608, 3,4-Dihydro-2,2-dimethyl-6-(methylthio)-4-oxo-2H-1,3-thiazine-5-carbonitrile, 2,2-dimethyl-6-methylsulfanyl-4-oxo-3H-1,3-thiazine-5-carbonitrile
| Molecular Formula | C8H10N2OS2 |
|---|---|
| Molecular Weight | 214.02 g/mol |
| LogP | 1.68368 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.02345 |
| Heavy Atoms | 13 |
| Complexity | 314.59595 |
Chemical Identifiers
| CAS Number | 33183-89-0 |
|---|---|
| SMILES | CC1(NC(=O)C(=C(S1)SC)C#N)C |
Product Overview
3,4-Dihydro-2,2-dimethyl-6-(methylthio)-4-oxo-2H-1,3-thiazine-5-carbonitrile (CAS 33183-89-0), with molecular formula C8H10N2OS2 and molecular weight 214.02 g/mol. IUPAC: 2,2-dimethyl-6-methylsulfanyl-4-oxo-3H-1,3-thiazine-5-carbonitrile.
Chemical Property Profile of 3,4-Dihydro-2,2-dimethyl-6-(methylthio)-4-oxo-2H-1,3-thiazine-5-carbonitrile
Property Insights of 3,4-Dihydro-2,2-dimethyl-6-(methylthio)-4-oxo-2H-1,3-thiazine-5-carbonitrile
The XLogP value of 1.68368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-2,2-dimethyl-6-(methylthio)-4-oxo-2H-1,3-thiazine-5-carbonitrile. With a topological polar surface area (TPSA) of 52.89 Ų, 3,4-Dihydro-2,2-dimethyl-6-(methylthio)-4-oxo-2H-1,3-thiazine-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-2,2-dimethyl-6-(methylthio)-4-oxo-2H-1,3-thiazine-5-carbonitrile has 1 hydrogen bond donor(s) and 4 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 3,4-Dihydro-2,2-dimethyl-6-(methylthio)-4-oxo-2H-1,3-thiazine-5-carbonitrile?
The CAS number of 3,4-Dihydro-2,2-dimethyl-6-(methylthio)-4-oxo-2H-1,3-thiazine-5-carbonitrile is 33183-89-0.
What is the molecular formula of 3,4-Dihydro-2,2-dimethyl-6-(methylthio)-4-oxo-2H-1,3-thiazine-5-carbonitrile?
The molecular formula of 3,4-Dihydro-2,2-dimethyl-6-(methylthio)-4-oxo-2H-1,3-thiazine-5-carbonitrile is C8H10N2OS2.
What is the molecular weight of 3,4-Dihydro-2,2-dimethyl-6-(methylthio)-4-oxo-2H-1,3-thiazine-5-carbonitrile?
The molecular weight of 3,4-Dihydro-2,2-dimethyl-6-(methylthio)-4-oxo-2H-1,3-thiazine-5-carbonitrile is 214.02 g/mol.
Where can I buy 3,4-Dihydro-2,2-dimethyl-6-(methylthio)-4-oxo-2H-1,3-thiazine-5-carbonitrile?
You can request a quote for 3,4-Dihydro-2,2-dimethyl-6-(methylthio)-4-oxo-2H-1,3-thiazine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-2,2-dimethyl-6-(methylthio)-4-oxo-2H-1,3-thiazine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-2,2-dimethyl-6-(methylthio)-4-oxo-2H-1,3-thiazine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.