1.0
2010-04-08 22:14:39 UTC
2019-11-26 03:18:00 UTC
FDB019896
Methanedithiol
Component of mushroom and onion flavour. Methanedithiol is found in mushrooms and onion-family vegetables.
Dimercaptomethane
Dithiomethane
CH4S2
80.172
79.975441508
methanedithiol
methanedithiol
6725-64-0
SCS
InChI=1S/CH4S2/c2-1-3/h2-3H,1H2
INBDPOJZYZJUDA-UHFFFAOYSA-N
logp
0.55
logs
-1.30
solubility
4.06e+00 g/l
logp
1.04
pka_strongest_acidic
9.42
pka_strongest_basic
-9.9
iupac
methanedithiol
average_mass
80.172
mono_mass
79.975441508
smiles
SCS
formula
CH4S2
inchi
InChI=1S/CH4S2/c2-1-3/h2-3H,1H2
inchikey
INBDPOJZYZJUDA-UHFFFAOYSA-N
polar_surface_area
0
refractivity
21.71
polarizability
8.24
rotatable_bond_count
0
acceptor_count
0
donor_count
2
physiological_charge
0
formal_charge
0
Specdb::MsIr
8738
Specdb::MsIr
8739
Specdb::MsIr
8740
Specdb::CMs
15479
Specdb::CMs
161965
Specdb::NmrOneD
38862
Specdb::NmrOneD
38863
Specdb::NmrOneD
38864
Specdb::NmrOneD
38865
Specdb::NmrOneD
38866
Specdb::NmrOneD
38867
Specdb::NmrOneD
38868
Specdb::NmrOneD
38869
Specdb::NmrOneD
38870
Specdb::NmrOneD
38871
Specdb::NmrOneD
38872
Specdb::NmrOneD
38873
Specdb::NmrOneD
38874
Specdb::NmrOneD
38875
Specdb::NmrOneD
38876
Specdb::NmrOneD
38877
Specdb::NmrOneD
38878
Specdb::NmrOneD
38879
Specdb::NmrOneD
38880
Specdb::NmrOneD
38881
Specdb::MsMs
11855
Specdb::MsMs
11856
Specdb::MsMs
11857
Specdb::MsMs
18527
Specdb::MsMs
18528
Specdb::MsMs
18529
Specdb::MsMs
2669503
Specdb::MsMs
2669504
Specdb::MsMs
2669505
Specdb::MsMs
3009286
Specdb::MsMs
3009287
Specdb::MsMs
3009288
HMDB40184
#<Reference:0x0000555673779e20>
Common mushroom
Type 1
specific
Agaricus bisporus
5341
Garden onion
Type 1
specific
Allium cepa
4679
Garden onion (var.)
Type 1
specific
Allium cepa var. cepa
4679
Green onion
Type 1
Mushrooms
Unknown
generic
Onion-family vegetables
Unknown
generic
Oyster mushroom
Type 1
specific
Pleurotus ostreatus
5322
Red onion
Type 1
Welsh onion
Type 1
specific
Allium fistulosum
35875
pungent