2,1,5-Benzothiadiazepin-4(3H)-one, 1,5-dihydro-1-methyl-, 2,2-dioxide

Base Information

• Chemical Name: 2,1,5-Benzothiadiazepin-4(3H)-one, 1,5-dihydro-1-methyl-, 2,2-dioxide
• CAS No.: 61154-86-7
• Molecular Formula: C₉H₁₀N₂O₃S
• Molecular Weight: 226.256
• DSSTox Substance ID: DTXSID70483927
• Wikidata: Q82321790
• Mol file: 61154-86-7.mol

Synonyms:2,1,5-Benzothiadiazepin-4(3H)-one, 1,5-dihydro-1-methyl-, 2,2-dioxide;61154-86-7;DTXSID70483927

Chemical Property of 2,1,5-Benzothiadiazepin-4(3H)-one, 1,5-dihydro-1-methyl-, 2,2-dioxide

Chemical Property:

• PSA: 78.35000
• LogP: 1.63560
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 226.04121336
• Heavy Atom Count: 15
• Complexity: 360

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2NC(=O)CS1(=O)=O