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CAS Number: 26524-91-4
thiochroman-4-one 1-oxide

Structure

thiochroman-4-one 1-oxide
Name: thiochroman-4-one 1-oxide
Synonyms:
General Information
Product Number: 26524914

CAS Registry Number 26524-91-4
Name:
4H-?1-?Benzothiopyran-?4-?one, 2,?3-?dihydro-?, 1-?oxide
Thiochroman-4-one, 1-oxide (8CI)
1-Thiachromanon-4 1-oxide
1-Thiochroman-4-one 1-oxide
Thiochroman-4-one S-oxide
Thiochromanone 1-oxide

 

Chemical Formula: C9H8O2S
Exact Mass: 180.02
Molecular Weight: 180.22
m/z: 180.02 (100.0%), 181.03 (9.9%), 182.02 (4.5%)

 

InChI:InChI=1S/C9H8O2S/c10-8-5-6-12(11)9-4-2-1-3-7(8)9/h1-4H,5-6H2

InChI Key:YWWKXKQNHSMQCR-UHFFFAOYSA-N

Canonical SMILES:C1CS(=O)C2=CC=CC=C2C1=O

 

Thermal Properties Value Condition Note
Melting Point 96-100 °C   (2)CAS
Melting Point 47-50 °C Solv: carbon tetrachloride (56-23-5) (8)IC
Melting Point 47-50 °C Solv: carbon tetrachloride (56-23-5) (7)IC
Melting Point See full text   (9)CAS

Specification

98%

References
  1. (2) Kumar, Atul; Tetrahedron Letters 2007, V48(44), P7857-7860 CAPLUS
  2. (7) MacKenzie, Neil E.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1982, (2), P395-402 CAPLUS
  3. (8) Christie, Robert M.; Journal of Chemical Research, Synopses 1980, (1), P8-9 CAPLUS
  4. (9) Devlin, F. J.; Chirality 2002, V14(5), P400-406 CAPLUS
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