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CAS Number: 886-78-2
(1E,4E)-1,5-di(thiophen-2-yl)penta-1,4-dien-3-one

Structure

(1E,4E)-1,5-di(thiophen-2-yl)penta-1,4-dien-3-one
Name: (1E,4E)-1,5-di(thiophen-2-yl)penta-1,4-dien-3-one
Synonyms:
General Information
Product Number: 886782

CAS Registry Number 886-78-2
Name:
1,​4-​Pentadien-​3-​one, 1,​5-​di-​2-​thienyl-
1,5-Bis(2-thienyl)penta-1,4-dien-3-one
1,5-Di-2-thienyl-1,4-pentadien-3-one

 

Chemical Formula: C13H10OS2
Exact Mass: 246.02
Molecular Weight: 246.35
m/z: 246.02 (100.0%), 247.02 (15.8%), 248.01 (9.0%), 248.02 (1.4%), 249.02 (1.3%)

 

InChI:InChI=1S/C13H10OS2/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h1-10H

InChI Key:IWLDEULFZPGROA-UHFFFAOYSA-N

Canonical SMILES:C1=CSC(=C1)C=CC(=O)C=CC2=CC=CS2

 

Thermal Properties Value Condition Note
Melting Point 119-120 °C   (4)CAS
Melting Point 116-117.5 °C   (5)CAS
Melting Point 113-114 °C   (6)CAS
Melting Point 104-105 °C   (4)CAS
Melting Point See full text   (1)CAS

Specification

98%

References
  1. (1) Brovelli, Francisco; Boletin de la Sociedad Chilena de Quimica 2001, V46(3), P319-337 CAPLUS
  2. (4) Tsukerman, S. V.; Zhurnal Organicheskoi Khimii 1965, V1(5), P978 CAPLUS
  3. (5) de Jongh, H. A. P.; Tetrahedron 1965, V21(3), P515-33 CAPLUS
  4. (6) Miller, Robert E.; Journal of Organic Chemistry 1951, V16, P1720-30 CAPLUS
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