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CAS Number: 13735-11-0
6-methoxythiochroman-4-one

Structure

 6-methoxythiochroman-4-one
Name: 6-methoxythiochroman-4-one
Synonyms:
General Information
Product Number: 13735110

CAS Registry Number 13735-11-0
Name:
4H-?1-?Benzothiopyran-?4-?one, 2,?3-?dihydro-?6-?methoxy-
Thiochroman-4-one, 6-methoxy- (6CI,8CI)
6-Methoxythiochroman-4-one

 

Chemical Formula: C10H10O2S
Exact Mass: 194.04
Molecular Weight: 194.25
m/z: 194.04 (100.0%), 195.04 (11.7%), 196.04 (5.0%)

 

InChI:InChI=1S/C10H10O2S/c1-12-7-2-3-10-8(6-7)9(11)4-5-13-10/h2-3,6H,4-5H2,1H3

InChI Key:ZOTKXOURMMKHFC-UHFFFAOYSA-N

Canonical SMILES:COC1=CC2=C(C=C1)SCCC2=O

 

Thermal Properties Value Condition Note
Melting Point 30-33 °C   (2)CAS
Melting Point 29-30 °C   (4)CAS
Melting Point See full text   (3)CAS

Specification

98%
References
  1. (2) Ma, Zhengyue; Chinese Journal of Chemistry 2011, V29(4), P757-764 CAPLUS
  2. (3) Li, Ji-Tai; Journal of Chemical Research 2004, (6), P394-395 CAPLUS
  3. (4) Degani, Iacopo; Bollettino Scientifico della Facolta di Chimica Industriale di Bologna 1966, V24(2-3), P75-91 CAPLUS
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