CAS Registry Number: 872283-26-6

Name:

4H-​1-​Benzothiopyran-​4-​one, 2,​3-​dihydro-​6,​8-​dimethyl-
4-​Thiochromanone, 6,​8-​dimethyl- (2CI) 

Chemical Formula: C11H12OS
Exact Mass: 192.06
Molecular Weight: 192.28
m/z: 192.06 (100.0%), 193.06 (12.7%), 194.06 (4.6%)

InChI: InChI=1S/C11H12OS/c1-7-5-8(2)11-9(6-7)10(12)3-4-13-11/h5-6H,3-4H2,1-2H3
InChIKey: BRNGNWTZZNSGAK-UHFFFAOYSA-N
Canonical SMILES : CC1=CC(=C2C(=C1)C(=O)CCS2)C

Specification

98%

1. (1) Jia, Wei; Bioorganic & Medicinal Chemistry 2009, V17(13), P4569-4574 CAPLUS
2. (2) Krollpfeiffer, F.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1923, V56B, P1919-24 CAPLUS