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CAS Number: 29373-02-2
8-methylthiochroman-4-one

Structure

 8-methylthiochroman-4-one
Name: 8-methylthiochroman-4-one
Synonyms:
General Information
Product Number: 29373022

CAS Registry Number 29373-02-2
Name:
4H-?1-?Benzothiopyran-?4-?one, 2,?3-?dihydro-?8-?methyl-
Thiochroman-4-one, 8-methyl- (7CI,8CI)
8-Methyl-4-thiochromanone
NSC 109426

 

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

InChI Key:AEEOBLVGMJPRAB-UHFFFAOYSA-N

Canonical SMILES:CC1=CC=CC2=C1SCCC2=O

 

Thermal Properties Value Condition Note
Boiling Point 171.5 °C Press: 14 Torr (1)CAS
Melting Point 68-69 °C   (3)CAS
Melting Point 65.5 °C Solv: water (7732-18-5); ethanol (64-17-5) (1)CAS
Melting Point 65-70 °C   (4)IC
Melting Point See full text   (5)CAS

Specification

98%
References
  1. (1) Cagniant, Paul; Compt. Rend. 1961, V253, P1702-4 CAPLUS
  2. (3) Chu, Sae-Lee; Huaxue Xuebao 1958, V24, P87-96 CAPLUS
  3. (4) Thakkar, Mrs. S. M.; Current Science 1976, V45(5), P178 CAPLUS
  4. (5) Hurd, Charles D.; Journal of the American Chemical Society 1954, V76, P5065-9 CAPLUS
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