5-methyl-6-oxo-2-thiabicyclo[5.4.0]undeca-7,9,11-triene-5-carboxamide

Modify Date: 2025-11-25 18:39:30

5-methyl-6-oxo-2-thiabicyclo[5.4.0]undeca-7,9,11-triene-5-carboxamide Structure
5-methyl-6-oxo-2-thiabicyclo[5.4.0]undeca-7,9,11-triene-5-carboxamide structure
Common Name 5-methyl-6-oxo-2-thiabicyclo[5.4.0]undeca-7,9,11-triene-5-carboxamide
CAS Number 88267-36-1 Molecular Weight 235.30200
Density 1.259g/cm3 Boiling Point 463.6ºC at 760 mmHg
Molecular Formula C12H13NO2S Melting Point N/A
MSDS N/A Flash Point 234.2ºC

 Names

Name 4-methyl-5-oxo-2,3-dihydro-1-benzothiepine-4-carboxamide

 Chemical & Physical Properties

Density 1.259g/cm3
Boiling Point 463.6ºC at 760 mmHg
Molecular Formula C12H13NO2S
Molecular Weight 235.30200
Flash Point 234.2ºC
Exact Mass 235.06700
PSA 85.46000
LogP 2.55700
Index of Refraction 1.601
InChIKey CQLDDVPYIHRJQY-UHFFFAOYSA-N
SMILES CC1(C(N)=O)CCSc2ccccc2C1=O

 Synthetic Route

~%

5-methyl-6-oxo-2-thiabicyclo[5.4.0]undeca-7,9,11-triene-5-carboxamide Structure

5-methyl-6-oxo-...

CAS#:88267-36-1

Literature: Mandal, Asok Nath; Raychaudhuri, S. R.; Chatterjee, Amareshwar Synthesis, 1983 , # 9 p. 727 - 729

~%

5-methyl-6-oxo-2-thiabicyclo[5.4.0]undeca-7,9,11-triene-5-carboxamide Structure

5-methyl-6-oxo-...

CAS#:88267-36-1

Literature: Mandal, Asok Nath; Raychaudhuri, S. R.; Chatterjee, Amareshwar Synthesis, 1983 , # 9 p. 727 - 729

 Precursor & DownStream

Precursor  2

DownStream  0

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