IUPAC name
thiosulfuric acid (H2S2O3) SS,SS'-[2-(dimethylamino)-1,3-propanediyl] ester
SMILES
CN(C)C(CSS(=O)(=O)O)CSS(=O)(=O)O
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
thiosultap
IUPAC name
thiosulfuric acid (H2S2O3) SS,SS'-[2-(dimethylamino)-1,3-propanediyl] ester
SMILES
CN(C)C(CSS(=O)(=O)O)CSS(=O)(=O)O
INCHI
InChI=1S/C5H13NO6S4/c1-6(2)5(3-13-15(7,8)9)4-14-16(10,11)12/h5H,3-4H2,1-2H3,(H,7,8,9)(H,10,11,12)
FORMULA
C5H13NO6S4
Common name
thiosultap
IUPAC name
thiosulfuric acid (H2S2O3) SS,SS'-[2-(dimethylamino)-1,3-propanediyl] ester
Molecular weight
311.420
clogP
-2.026
clogS
0.245
HBond Acceptor
7
HBond Donor
2
Total Polar Surface Area
162.58
Number of Rings
0
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00064 | N,N-dimethylmethanamine |
|
N(C)(C)C | 0.0371 |
| FDBF00066 | N-methylmethanamine |
|
N(C)C | 0.0914 |
| FDBF00099 | ethanethiol |
|
CCS | 0.0165 |
| FDBF00289 | N,N-dimethylethanamine |
|
C(C)N(C)C | 0.0299 |
| FDBF00739 | N,N-dimethylpropan-2-amine |
|
N(C)(C)C(C)C | 0.0058 |
| FDBF01025 | propane-1-thiol |
|
CCCS | 0.0062 |
| FDBF03953 | 2-(dimethylamino)ethanethiol |
|
N(C)(C)CCS | 0.0010 |
| FDBF04643 | (2R)-2-(dimethylamino)propane-1-thiol |
|
C(S)[C@H](N(C)C)C | 0.0007 |
| FDBF04645 | (2S)-2-(dimethylamino)propane-1-thiol |
|
C[C@H](N(C)C)CS | 0.0007 |
10 ,
2
