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866142-98-5,MFCD04126192
Catalog No.:AA00IYZH

866142-98-5 | (2E)-3-acetyl-2-[(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1lambda6-thiophene-1,1-dione

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Technical Information
Catalog Number:
AA00IYZH
Chemical Name:
(2E)-3-acetyl-2-[(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1lambda6-thiophene-1,1-dione
CAS Number:
866142-98-5
Molecular Formula:
C16H19NO3S2
Molecular Weight:
337.4570
MDL Number:
MFCD04126192
SMILES:
CN(/C=C/1\C(=C(CS1(=O)=O)Sc1ccc(cc1)C)C(=O)C)C
Properties
Computed Properties
 
Complexity:
604  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
4  
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.8  

Literature
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SDS
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Tags:866142-98-5 Molecular Formula|866142-98-5 MDL|866142-98-5 SMILES|866142-98-5 (2E)-3-acetyl-2-[(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1lambda6-thiophene-1,1-dione