Thiobutacin
AlkaPlorer ID: AK315982
Synonym: 2-Amino-α-(methylthio)-γ-oxobenzenebutanoic acid, 4-(2-Aminophenyl)-2-(methylthio)-4-oxobutanoic acid
IUPAC Name: 4-(2-aminophenyl)-2-methylsulfanyl-4-oxobutanoic acid
Structure
SMILES: CSC(CC(=O)C1=CC=CC=C1N)C(=O)O
InChI: InChI=1S/C11H13NO3S/c1-16-10(11(14)15)6-9(13)7-4-2-3-5-8(7)12/h2-5,10H,6,12H2,1H3,(H,14,15)
InChIKey: DGBICJRAEAUCGO-UHFFFAOYSA-N
Reference
PubChem CID: 9991835
CAS: 758695-83-9
LOTUS: LTS0237583
NPASS: NPC477432
COCONUT: CNP0109332.2
{NPAtlas: NPA016253
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 239.296
TPSA？: 80.39
MolLogP？: 1.6578
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Botrytis cinerea | Botrytis cinerea | MIC | 50.0 | ug.mL-1 | 10.1021/np049786v |
| Phytophthora capsici | Phytophthora capsici | MIC | 10.0 | ug.mL-1 | 10.1021/np049786v |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 30.0 | ug.mL-1 | 10.1021/np049786v |