IUPAC name
S,S'-[2-(dimethylamino)-1,3-propanediyl] di(benzenesulfonothioate)
SMILES
CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
bensultap
IUPAC name
S,S'-[2-(dimethylamino)-1,3-propanediyl] di(benzenesulfonothioate)
SMILES
CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1
INCHI
InChI=1S/C17H21NO4S4/c1-18(2)15(13-23-25(19,20)16-9-5-3-6-10-16)14-24-26(21,22)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
FORMULA
C17H21NO4S4
Common name
bensultap
IUPAC name
S,S'-[2-(dimethylamino)-1,3-propanediyl] di(benzenesulfonothioate)
Molecular weight
431.613
clogP
1.841
clogS
-4.334
HBond Acceptor
5
HBond Donor
0
Total Polar Surface Area
122.12
Number of Rings
2
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| 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 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF00289 | N,N-dimethylethanamine |
|
C(C)N(C)C | 0.0299 |
| FDBF03953 | 2-(dimethylamino)ethanethiol |
|
N(C)(C)CCS | 0.0010 |
| FDBF04642 | methylsulfanylsulfonylbenzene |
|
CSS(=O)(=O)c1ccccc1 | 0.0003 |
| FDBF04645 | (2S)-2-(dimethylamino)propane-1-thiol |
|
C[C@H](N(C)C)CS | 0.0007 |
15 ,
2
