1,4-Benzothiazepine-3,5(2H,4H)-dione

Base Information

• Chemical Name: 1,4-Benzothiazepine-3,5(2H,4H)-dione
• CAS No.: 92970-91-7
• Molecular Formula: C₉H₇NO₂S
• Molecular Weight: 193.226
• DSSTox Substance ID: DTXSID40576335
• Wikidata: Q82465966
• Mol file: 92970-91-7.mol

Synonyms:92970-91-7;benzo[f][1,4]thiazepine-3,5(2H,4H)-dione;1,4-Benzothiazepine-3,5(2H,4H)-dione;SCHEMBL3428710;DTXSID40576335;MVKZQRWWOROTJU-UHFFFAOYSA-N;AKOS026720595;2,3,4,5-tetrahydro-1,4-benzothiazepine-3,5-dione;F2197-0341

Chemical Property of 1,4-Benzothiazepine-3,5(2H,4H)-dione

Chemical Property:

• PSA: 74.96000
• LogP: 1.32460
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 193.01974964
• Heavy Atom Count: 13
• Complexity: 242

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(=O)NC(=O)C2=CC=CC=C2S1