1.0
2010-04-08 22:10:11 UTC
2019-11-26 03:06:50 UTC
FDB012458
Dimethyl trisulfide
Found in essential oil of hop (Humulus lupulus), garlic (Allium sativum), shallot (Allium cepa) and ramsons (Allium ursinum)and is also found in pineapple, raw cabbage, kohrabi, roasted filberts, roasted peanuts, edible mushrooms, brussel sprouts, fermented radish, Chinese cabbage, parsnips, scallop and squid. The major off-flavour principle of overcooked brassicas. Flavouring ingredient.
1,3-Dimethyltrisulfane
1,3-Dimethyltrisulfane (acd/name 4.0)
2,3,4-Trithiapentane
CH3SSSCH3
Dimethyl disulfide
Dimethyl trisufide
Dimethyl trisulphide
Dimethyltrisulfane
DMTS
FEMA 3275
Methyl trisulfide
Methyl trisulfide (8CI)
Methyl trisulfide, 8CI
Trisulfane, dimethyl-
Trisulfide, dimethyl
C2H6S3
126.264
125.963162262
dimethyltrisulfane
dimethyl trisulfide
3658-80-8
CSSSC
InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3
YWHLKYXPLRWGSE-UHFFFAOYSA-N
belongs to the class of organic compounds known as organic trisulfides. These are organosulfur compounds with the general formula RSSSR' (R,R'=alkyl, aryl).
Organic trisulfides
Organic compounds
Organosulfur compounds
Organic trisulfides
Aliphatic acyclic compounds
Hydrocarbon derivatives
Sulfenyl compounds
Aliphatic acyclic compound
Hydrocarbon derivative
Organic trisulfide
Sulfenyl compound
organic trisulfide
Liquid
logp
1.26
logs
-1.76
solubility
2.20e+00 g/l
logp
1.94
iupac
dimethyltrisulfane
average_mass
126.264
mono_mass
125.963162262
smiles
CSSSC
formula
C2H6S3
inchi
InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3
inchikey
YWHLKYXPLRWGSE-UHFFFAOYSA-N
polar_surface_area
0
refractivity
32.9
polarizability
12.46
rotatable_bond_count
2
acceptor_count
0
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::EiMs
1668
Specdb::CMs
2902
Specdb::CMs
26898
Specdb::CMs
100059
Specdb::CMs
135232
Specdb::CMs
142966
Specdb::MsIr
2950
Specdb::MsIr
2951
Specdb::NmrOneD
99918
Specdb::NmrOneD
99919
Specdb::NmrOneD
99920
Specdb::NmrOneD
99921
Specdb::NmrOneD
99922
Specdb::NmrOneD
99923
Specdb::NmrOneD
99924
Specdb::NmrOneD
99925
Specdb::NmrOneD
99926
Specdb::NmrOneD
99927
Specdb::NmrOneD
99928
Specdb::NmrOneD
99929
Specdb::NmrOneD
99930
Specdb::NmrOneD
99931
Specdb::NmrOneD
99932
Specdb::NmrOneD
99933
Specdb::NmrOneD
99934
Specdb::NmrOneD
99935
Specdb::NmrOneD
99936
Specdb::NmrOneD
99937
Specdb::MsMs
49152
Specdb::MsMs
49153
Specdb::MsMs
49154
Specdb::MsMs
155616
Specdb::MsMs
155617
Specdb::MsMs
155618
Specdb::MsMs
2366929
Specdb::MsMs
2366930
Specdb::MsMs
2366931
Specdb::MsMs
2598217
Specdb::MsMs
2598218
Specdb::MsMs
2598219
HMDB13780
#<Reference:0x0000555675fa4be8>
#<Reference:0x0000555675fa4990>
#<Reference:0x0000555675fa47d8>
#<Reference:0x0000555675fa45f8>
Allium
Type 1
specific
Allium
4678
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Blackberry
Type 1
specific
Rubus
Brassicas
Unknown
generic
3705
Breakfast cereal
Type 2
specific
Broccoli
Type 1
specific
Brassica oleracea var. italica
36774
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cabbage
Type 1
specific
Brassica oleracea var. capitata
3716
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Cauliflower
Type 1
specific
Brassica oleracea var. botrytis
3715
Cereals and cereal products
Unknown
generic
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Common mushroom
Type 1
specific
Agaricus bisporus
5341
Corn
Type 1
specific
Zea mays
4577
0.0
0.0
0.0
mg/L
Cucumber
Type 1
specific
Cucumis sativus
3659
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Evergreen blackberry
Type 1
specific
Rubus laciniatus
Fruits
Unknown
generic
Garden onion
Type 1
specific
Allium cepa
4679
Garden onion (var.)
Type 1
specific
Allium cepa var. cepa
4679
Garlic
Type 1
specific
Allium sativum
4682
Green bean
Type 1
specific
Phaseolus vulgaris
3885
Green onion
Type 1
Greylag goose
Type 1
specific
Anser anser
8843
Guava
Type 1
specific
Psidium guajava
120290
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Kohlrabi
Type 1
specific
Brassica oleracea var. gongylodes
109379
4.75
4.75
4.75
mg/100 g
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Milk (Cow)
Type 2
specific
0.000147
0.000386
0.000009627
uM
Mollusks
Unknown
generic
6447
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Mushrooms
Unknown
generic
Nuts
Unknown
generic
Onion-family vegetables
Unknown
generic
Ostrich
Type 1
specific
Struthio camelus
8801
Oyster mushroom
Type 1
specific
Pleurotus ostreatus
5322
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Red onion
Type 1
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Root vegetables
Unknown
generic
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Shiitake
Type 1
specific
Lentinus edodes
5353
Soft-necked garlic
Type 1
specific
Allium sativum L. var. sativum
4682
0.99
0.99
0.99
mg/100 g
Squab
Type 1
specific
Columba
8931
Tortilla chip
Type 2
specific
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Welsh onion
Type 1
specific
Allium fistulosum
35875
White cabbage
Type 1
specific
Brassica oleracea L. var. capitata L. f. alba DC.
Wild boar
Type 1
specific
Sus scrofa
9823
cabbage
cooked
fish
meaty
onion
savory
sulfur
sulfurous