2-(O-(Methylcarbamoyl)oximino)-3,3,6-trimethyltetrahydro-1,4-thiazin-5-one

Base Information

• Chemical Name: 2-(O-(Methylcarbamoyl)oximino)-3,3,6-trimethyltetrahydro-1,4-thiazin-5-one
• CAS No.: 66637-26-1
• Molecular Formula: C9H15N3O3S
• Molecular Weight: 245.33
• Mol file: 66637-26-1.mol

Synonyms:2-(O-(Methylcarbamoyl)oximino)-3,3,6-trimethyltetrahydro-1,4-thiazin-5-one;3,3,6-Trimethyl-2,5-thiomorpholinedione 2-(O-((methylamino)carbonyl)oxime);2,5-Thiomorpholinedione, 3,3,6-trimethyl-, 2-(O-((methylamino)carbonyl)oxime);66637-26-1;C9-H15-N3-O3-S;LS-152781

Chemical Property of 2-(O-(Methylcarbamoyl)oximino)-3,3,6-trimethyltetrahydro-1,4-thiazin-5-one

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 12.43±0.60(Predicted)
• Flash Point: °C
• PSA: 112.07000
• Density: 1.35g/cm³
• LogP: 1.16630
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 245.08341252
• Heavy Atom Count: 16
• Complexity: 341

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): A poison by ingestion.
• Hazard Codes: A poison by ingestion.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)NC(C(=NOC(=O)NC)S1)(C)C
• Isomeric SMILES: CC1C(=O)NC(/C(=N\OC(=O)NC)/S1)(C)C
• Uses: Agricultural chemical.