2-Phenylethylamine; N-(Methyl dithiocarbamate)
AlkaPlorer ID: AK310078
Synonym: Methyl N-(2-phenylethyl)dithiocarbamate, Nasturlexin A
IUPAC Name: methyl N-(2-phenylethyl)carbamodithioate
Structure
SMILES: CSC(=S)NCCC1=CC=CC=C1
InChI: InChI=1S/C10H13NS2/c1-13-10(12)11-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)
InChIKey: CHQKWKSZGCZEQE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nasturtium officinale | Nasturtium | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 211.355
TPSA？: 12.03
MolLogP？: 2.466600000000001
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Indoleamine 2,3-dioxygenase | Ki | 62360.0 | nM | 10.1021/jm0508888 |