CAS Registry Number: 17396-35-9

Name:

4H-​Thiopyran-​4-​one, tetrahydro-​, 1,​1-​dioxide
1,​1-​Dioxotetrahydro-​2H-​thiopyran-​4-​one; 1,​1-​Dioxotetrahydrothiop​yran-​4-​one; 2,​3,​5,​6-​Tetrahydro-​4H-​thiopyran-​4-​one 1,​1-​dioxide; 4-​Tetrahydrothiopyrano​ne 1,​1-​dioxide; 4-​Thiacyclohexanone dioxide; NSC 95668; Tetrahydro-​4-​thiopyrone 1,​1-​dioxide; Tetrahydro-​4H-​thiopyran-​4-​one 1,​1-​dioxide; Tetrahydrothiopyran-​4-​one S,​S-​dioxide 

Chemical Formula: C5H8O3S
Exact Mass: 148.02
Molecular Weight: 148.18
m/z: 148.02 (100.0%), 149.02 (6.3%), 150.02 (5.2%)

InChI: InChI=1S/C5H8O3S/c6-5-1-3-9(7,8)4-2-5/h1-4H2
InChIKey: XFMQGQAAHOGFQS-UHFFFAOYSA-N
Canonical SMILES : C1CS(=O)(=O)CCC1=O

Specification

98%

1. (1) Hirsch, Jerry A.; Journal of Organic Chemistry 1976, V41(3), P455-62 CAPLUS
2. (2) Casy, Guy; Synthesis 1989, (10), P767-9 CAPLUS
3. (3) Vennerstrom, Jonathan L.; US 6486199 B1 2002 CAPLUS