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CAS Number: 5705-79-3
1,1'-([2,2':5',2''-terthiophene]-5,5''-diyl)diethanone

Structure

 1,1'-([2,2':5',2''-terthiophene]-5,5''-diyl)diethanone
Name: 1,1'-([2,2':5',2''-terthiophene]-5,5''-diyl)diethanone
Synonyms:
General Information
Product Number: 5705793

CAS Registry Number 5705-79-3
Name:
Ethanone, 1,?1'-?[2,?2':5',?2''-?terthiophene]?-?5,?5''-?diylbis-
2,2':5',2''-Terthiophene, 5,5''-diacetyl- (6CI)
5,5''-Diacetyl-2,2':5',2''-terthiophene

 

Chemical Formula: C16H12O2S3
Exact Mass: 332.00
Molecular Weight: 332.46
m/z: 332.00 (100.0%), 333.00 (19.8%), 334.00 (14.4%), 335.00 (2.6%), 334.01 (1.4%)

 

InChI:InChI=1S/C16H12O2S3/c1-9(17)11-3-5-13(19-11)15-7-8-16(21-15)14-6-4-12(20-14)10(2)18/h3-8H,1-2H3

InChI Key:VPBVSLZSWNYGQK-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=CC=C(S1)C2=CC=C(S2)C3=CC=C(S3)C(=O)C

 

Thermal Properties Value Condition Note
Melting Point 255-256 °C Solv: 1,4-dioxane (123-91-1) (1)CAS
Melting Point 249-250 °C Solv: 1,4-dioxane (123-91-1) (2)CAS
Melting Point 246-247 °C   (3)CAS

Specification

98%
References
  1. (1) Ono, Katsuhiko; Chemistry - A European Journal 2010, V16(45), P13539-13546, S13539/1-S13539/35 CAPLUS
  2. (2) Wynberg, Hans; Journal of the American Chemical Society 1960, V82, P1447-50 CAPLUS
  3. (3) Bohlmann, Ferdinand; Chemische Berichte 1966, V99(3), P984-9 CAPLUS
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