CAS Registry Number: 195503-40-3

Name:

2H-​Thiopyran-​4-​carbonitrile, tetrahydro-
Tetrahydro-​2H-​thiopyran-​4-​carbonitrile; Tetrahydrothiopyran-​4-​carbonitrile 

Chemical Formula: C6H9NS
Exact Mass: 127.05
Molecular Weight: 127.21
m/z: 127.05 (100.0%), 128.05 (6.6%), 129.04 (4.5%), 128.04 (1.2%)

InChI: InChI=1S/C6H9NS/c7-5-6-1-3-8-4-2-6/h6H,1-4H2
InChIKey: DQKVZWAEWJUKAX-UHFFFAOYSA-N
Canonical SMILES : C1CSCCC1C#N

Specification

98%

1. (1) Strassler, Christoph; Helvetica Chimica Acta 1997, V80(5), P1528-1554 CAPLUS
2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
3. (3) Augustine, John Kallikat; Synlett 2009, (20), P3378-3382 CAPLUS