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CAS Number: 13735-17-6
5-methylthiochroman-4-one

Structure

 5-methylthiochroman-4-one
Name: 5-methylthiochroman-4-one
Synonyms:
General Information
Product Number: 13735176

CAS Registry Number 13735-17-6
Name:
4H-?1-?Benzothiopyran-?4-?one, 2,?3-?dihydro-?5-?methyl-
Thiochroman-4-one, 5-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/c1-7-3-2-4-9-10(7)8(11)5-6-12-9/h2-4H,5-6H2,1H3

InChI Key:UNNHSPSJYVQYMD-UHFFFAOYSA-N

Canonical SMILES:CC1=C2C(=O)CCSC2=CC=C1

 

Thermal Properties Value Condition Note
Boiling Point 124 °C Press: 2.5 Torr (1)IC
Melting Point 34-35 °C   (2)CAS

Specification

98%
References
  1. (1) Thakkar, Mrs. S. M.; Current Science 1976, V45(5), P178 CAPLUS
  2. (2) Degani, Iacopo; Bollettino Scientifico della Facolta di Chimica Industriale di Bologna 1966, V24(2-3), P75-91 CAPLUS
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