5H-2,5-Methano-1,2-benzothiazepine, 1,1-dioxide

Modify Date: 2025-09-26 18:01:37

5H-2,5-Methano-1,2-benzothiazepine, 1,1-dioxide Structure
5H-2,5-Methano-1,2-benzothiazepine, 1,1-dioxide structure
Common Name 5H-2,5-Methano-1,2-benzothiazepine, 1,1-dioxide
CAS Number 139021-60-6 Molecular Weight 207.24900
Density N/A Boiling Point N/A
Molecular Formula C10H9NO2S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 5H-2,5-Methano-1,2-benzothiazepine, 1,1-dioxide
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C10H9NO2S
Molecular Weight 207.24900
Exact Mass 207.03500
PSA 45.76000
LogP 2.32050
InChIKey QSFPNPIBTDKELG-UHFFFAOYSA-N
SMILES O=S1(=O)c2ccccc2C2C=CN1C2

 Synthetic Route

~84%

5H-2,5-Methano-1,2-benzothiazepine, 1,1-dioxide Structure

5H-2,5-Methano-...

CAS#:139021-60-6

Literature: Evans, Paul; McCabe, Thomas; Morgan, Ben S.; Reau, Sophie Organic Letters, 2005 , vol. 7, # 1 p. 43 - 46

~80%

5H-2,5-Methano-1,2-benzothiazepine, 1,1-dioxide Structure

5H-2,5-Methano-...

CAS#:139021-60-6

Literature: Grigg, Ronald; Sridharan, Visuvanathan; York, Mark Tetrahedron Letters, 1998 , vol. 39, # 23 p. 4139 - 4142

~%

5H-2,5-Methano-1,2-benzothiazepine, 1,1-dioxide Structure

5H-2,5-Methano-...

CAS#:139021-60-6

Literature: Grigg; Santhakumar; Sridharan; Stevenson; Teasdale; Thornton-Pett; Worakun Tetrahedron, 1991 , vol. 47, # 46 p. 9703 - 9720

 Synonyms

8-thia-9-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene-8,8-dioxide
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