Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate

Base Information

• Chemical Name: Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate
• CAS No.: 2832-88-4
• Molecular Formula: C₁₁H₁₁NO₂S₂
• Molecular Weight: 253.346
• DSSTox Substance ID: DTXSID901194211
• Mol file: 2832-88-4.mol

Synonyms:YPPGNEQKYMOJEQ-UHFFFAOYSA-N;DTXSID901194211;Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate;Methyl (3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate #;2H-1,4-Benzothiazin-2-acetic acid, 3,4-dihydro-3-thione-, methyl ester;2832-88-4

Chemical Property of Methyl 3,4-dihydro-3-thioxo-2H-1,4-benzothiazine-2-acetate

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 253.02312094
• Heavy Atom Count: 16
• Complexity: 296

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1C(=S)NC2=CC=CC=C2S1