1.0
2010-04-08 22:12:16 UTC
2015-07-20 23:26:06 UTC
FDB016150
4,4'-Thiobis-2-butanone
Flavouring and perfumery ingredient
2-Butanone, 4,4'-thiobis-
2-Butanone, 4,4'-thiodi-
4,4'-Thiobis(2-butanone)
4,4'-Thiodi-2-butanone
4,4'-Thiodi(2-butanone)
5-Thianona-2,8-dione
Bis(3-oxobutyl) sulfide
Di(butan-3-one-1-yl) sulfide
FEMA 3335
C8H14O2S
174.261
174.071450382
40790-04-3
CC(=O)CCSCCC(C)=O
InChI=1S/C8H14O2S/c1-7(9)3-5-11-6-4-8(2)10/h3-6H2,1-2H3
CIBUHUTVSRPCRO-UHFFFAOYSA-N
average_mass
174.261
mono_mass
174.071450382
smiles
CC(=O)CCSCCC(C)=O
formula
C8H14O2S
inchi
InChI=1S/C8H14O2S/c1-7(9)3-5-11-6-4-8(2)10/h3-6H2,1-2H3
inchikey
CIBUHUTVSRPCRO-UHFFFAOYSA-N
Specdb::CMs
21037
Specdb::CMs
174365
Specdb::MsIr
7419
Specdb::MsIr
7420
Specdb::MsMs
83469
Specdb::MsMs
83470
Specdb::MsMs
83471
Specdb::MsMs
145068
Specdb::MsMs
145069
Specdb::MsMs
145070
Specdb::MsMs
2724746
Specdb::MsMs
2724747
Specdb::MsMs
2724748
Specdb::MsMs
2957088
Specdb::MsMs
2957089
Specdb::MsMs
2957090
HMDB37155
#<Reference:0x00005556741efa58>