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CAS Number: 13735-18-7
7-methylthiochroman-4-one

Structure

 7-methylthiochroman-4-one
Name: 7-methylthiochroman-4-one
Synonyms:
General Information
Product Number: 13735187

CAS Registry Number 13735-18-7
Name:
4H-?1-?Benzothiopyran-?4-?one, 2,?3-?dihydro-?7-?methyl-
Thiochroman-4-one, 7-methyl- (8CI)

 

Chemical Formula: C10H10OS
Exact Mass: 178.05
Molecular Weight: 178.25
m/z: 178.05 (100.0%), 179.05 (11.0%), 180.04 (4.5%)

 

InChI:InChI=1S/C10H10OS/c1-7-2-3-8-9(11)4-5-12-10(8)6-7/h2-3,6H,4-5H2,1H3

InChI Key:RQKPWCBIBIMKRP-UHFFFAOYSA-N

Canonical SMILES:CC1=CC2=C(C=C1)C(=O)CCS2

 

Thermal Properties Value Condition Note
Boiling Point 146 °C Press: 2.5 Torr (1)IC
Boiling Point 146 °C Press: 2.5 Torr (2)IC
Melting Point 51-52 °C   (4)CAS
Melting Point 50-51 °C Solv: ligroine (8032-32-4) (3)CAS

Specification

98%
References
  1. (1) Thakkar, Mrs. S. M.; Current Science 1976, V45(5), P178 CAPLUS
  2. (2) Kumar, Arvind; Journal of Chemical Research, Synopses 1979, (8), P268-9 CAPLUS
  3. (3) Jia, Wei; Bioorganic & Medicinal Chemistry 2009, V17(13), P4569-4574 CAPLUS
  4. (4) Degani, Iacopo; Bollettino Scientifico della Facolta di Chimica Industriale di Bologna 1966, V24(2-3), P75-91 CAPLUS
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