1.0
2010-04-08 22:09:26 UTC
2019-11-26 03:04:30 UTC
FDB011046
Ethyl propyl disulfide
Constituent of Allium subspecies, Durio zibethinus (durian) and Nigella sativa (black cumin). Ethyl propyl disulfide is found in onion-family vegetables, herbs and spices, and fruits.
1-(Ethyldisulfanyl)propane
3,4-Dithiaheptane
Disulfide, ethyl propyl
Ethyl n-propyl disulfide
Ethyl n-propyl disulphide
Ethyl propyl disulphide
C5H12S2
136.279
136.038041764
1-(ethyldisulfanyl)propane
ethyl propyl disulfide
30453-31-7
CCCSSCC
InChI=1S/C5H12S2/c1-3-5-7-6-4-2/h3-5H2,1-2H3
SNGRPWPVGSSZGV-UHFFFAOYSA-N
logp
3.01
logs
-2.59
solubility
3.49e-01 g/l
logp
2.53
iupac
1-(ethyldisulfanyl)propane
average_mass
136.279
mono_mass
136.038041764
smiles
CCCSSCC
formula
C5H12S2
inchi
InChI=1S/C5H12S2/c1-3-5-7-6-4-2/h3-5H2,1-2H3
inchikey
SNGRPWPVGSSZGV-UHFFFAOYSA-N
polar_surface_area
0
refractivity
41.11
polarizability
16
rotatable_bond_count
4
acceptor_count
0
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
11347
Specdb::CMs
160532
Specdb::MsIr
5930
Specdb::MsIr
5931
Specdb::MsMs
46608
Specdb::MsMs
46609
Specdb::MsMs
46610
Specdb::MsMs
168060
Specdb::MsMs
168061
Specdb::MsMs
168062
Specdb::MsMs
2344082
Specdb::MsMs
2344083
Specdb::MsMs
2344084
Specdb::MsMs
2590711
Specdb::MsMs
2590712
Specdb::MsMs
2590713
HMDB33053
#<Reference:0x00005556750df590>
Cabbage
Type 1
specific
Brassica oleracea var. capitata
3716
Fruits
Unknown
generic
Garden onion
Type 1
specific
Allium cepa
4679
Garden onion (var.)
Type 1
specific
Allium cepa var. cepa
4679
Green onion
Type 1
Herbs and Spices
Unknown
generic
Onion-family vegetables
Unknown
generic
Red onion
Type 1
Welsh onion
Type 1
specific
Allium fistulosum
35875
garlic
green
onion
sulfurous