4-[(E)-(DIMETHYLAMINO)METHYLIDENE]-3,4-DIHYDRO-1-BENZOTHIEPIN-5(2H)-ONE
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![4-[(E)-(DIMETHYLAMINO)METHYLIDENE]-3,4-DIHYDRO-1-BENZOTHIEPIN-5(2H)-ONE structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f7dc758be3424de58545e4e4fc1d17a4.png "4-[(E)-(DIMETHYLAMINO)METHYLIDENE]-3,4-DIHYDRO-1-BENZOTHIEPIN-5(2H)-ONE")
4-[(E)-(DIMETHYLAMINO)METHYLIDENE]-3,4-DIHYDRO-1-BENZOTHIEPIN-5(2H)-ONE
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CAS No:
106364-97-0
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Formula:
C13H15NOS
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Chemical Name:
4-[(E)-(DIMETHYLAMINO)METHYLIDENE]-3,4-DIHYDRO-1-BENZOTHIEPIN-5(2H)-ONE
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Synonyms:
4-[(E)-(dimethylamino)methylidene]-3,4-dihydro-1-benzothiepin-5(2H)-one;(4E)-4-[(dimethylamino)methylidene]-2,3,4,5-tetrahydro-1-benzothiepin-5-one;MFCD02082956;ZINC29763400;AKOS015992102;12P-652
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CAS No:
4-[(E)-(DIMETHYLAMINO)METHYLIDENE]-3,4-DIHYDRO-1-BENZOTHIEPIN-5(2H)-ONE Basic Attributes
233.33
233.087
Computed Properties
Molecular Weight:233.33
XLogP3:2.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:233.08743528
Monoisotopic Mass:233.08743528
Topological Polar Surface Area:45.6
Heavy Atom Count:16
Complexity:298
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
4-[(E)-(DIMETHYLAMINO)METHYLIDENE]-3,4-DIHYDRO-1-BENZOTHIEPIN-5(2H)-ONE
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