1,5-Benzothiazepin-4(5H)-one, 2-(2-furanyl)-2,3-dihydro-

Base Information

• Chemical Name: 1,5-Benzothiazepin-4(5H)-one, 2-(2-furanyl)-2,3-dihydro-
• CAS No.: 89813-88-7
• Molecular Formula: C13H11NO2S
• Molecular Weight: 245.302
• DSSTox Substance ID: DTXSID30372383
• Nikkaji Number: J516.253J
• ChEMBL ID: CHEMBL1612316

Synonyms:89813-88-7;1,5-Benzothiazepin-4(5H)-one, 2-(2-furanyl)-2,3-dihydro-;2-(furan-2-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one;2-(furan-2-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one;Maybridge4_004041;Oprea1_321196;MLS001182327;CHEMBL1612316;SCHEMBL10353022;DTXSID30372383;HMS1532H15;HMS2851H07;AKOS005207494;IDI1_032863;SMR000568040;BRD-A66523542-001-01-2;F2135-0220;2-(2-Furyl)-2,3-dihydro-1,5-benzothiazepine-4(5H)-one;2-(furan-2-yl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one

Chemical Property of 1,5-Benzothiazepin-4(5H)-one, 2-(2-furanyl)-2,3-dihydro-

Chemical Property:

• Boiling Point: 447.3±45.0 °C(Predicted)
• PSA: 71.03000
• Density: 1.271±0.06 g/cm3(Predicted)
• LogP: 3.54030
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 245.05104977
• Heavy Atom Count: 17
• Complexity: 297

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(SC2=CC=CC=C2NC1=O)C3=CC=CO3

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