Navigation

name Structure Reference Source Properties Activities Metabolism

4-Dimethylamino-1,2-dithiolane

AlkaPlorer ID: AK061768

Synonym: N,N-Dimethyl-1,2-dithiolan-4-amine, Nereistoxin 

IUPAC Name: dithiolan-4-yl(dimethyl)azanium

Structure

SMILES: C[NH+](C)C1CSSC1

copy

InChI: InChI=1S/C5H11NS2/c1-6(2)5-3-7-8-4-5/h5H,3-4H2,1-2H3/p+1

copy

InChIKey: DSOOGBGKEWZRIH-UHFFFAOYSA-O

copy

Reference

PubChem CID: 86295178

SuperNatural Ⅲ: SN0074326

NPASS: NPC285308

COCONUT: CNP0114593

Properties Information

Molecule Weight: 150.292

TPSA？: 4.44

MolLogP？: -0.1054999999999994

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Chilo suppressalis Chilo suppressalis mortality 100.0 % 10.1584/jpestics.16.387
Chilo suppressalis Chilo suppressalis mortality 100.0 % 10.1584/jpestics.16.397
Laodelphax striatellus Laodelphax striatellus mortality 80.0 % 10.1584/jpestics.16.397
Musca domestica Musca domestica Activity nan None 10.1584/jpestics.20.57
Musca domestica Musca domestica LD50 0.49 ug 10.1584/jpestics.20.57
Musca domestica Nicotinic acetylcholine receptor alpha 5 subunit Ki 187000.0 nM 10.1584/jpestics.17.4_231
Spodoptera litura Spodoptera litura mortality 90.0 % 10.1584/jpestics.16.397
Tetranychus urticae Tetranychus urticae mortality 30.0 % 10.1584/jpestics.16.387
Tetranychus urticae Tetranychus urticae mortality 50.0 % 10.1584/jpestics.16.397
Torpedo californica Acetylcholine receptor protein alpha chain Activity nan None 10.1584/jpestics.20.49
Torpedo californica Acetylcholine receptor protein alpha chain IC50 953000.0 nM 10.1584/jpestics.20.49
Torpedo californica Acetylcholine receptor protein alpha chain IC50 1068000.0 nM 10.1584/jpestics.20.49
None Unchecked IC50 30700.0 nM 10.1584/jpestics.20.57
None Unchecked IC50 228000.0 nM 10.1584/jpestics.20.57
None Unchecked Ki 254000.0 nM 10.1584/jpestics.17.4_231

Metabolism Information