Catalog Number:
AG000A98
Chemical Name:
Ethanamine, 2-(1,3-dithiolan-2-ylidene)-, 4-methylbenzenesulfonate (1:1)
CAS Number:
113997-87-8
Molecular Formula:
C12H17NO3S3
Molecular Weight:
319.4633
IUPAC Name:
2-(1,3-dithiolan-2-ylidene)ethanamine;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C7H8O3S.C5H9NS2/c1-6-2-4-7(5-3-6)11(8,9)10;6-2-1-5-7-3-4-8-5/h2-5H,1H3,(H,8,9,10);1H,2-4,6H2
InChI Key:
FVBBCBPRPSJDAS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.NCC=C1SCCS1