N-benzylmethoxycarbothioamide
AlkaPlorer ID: AK263499
Synonym: None
IUPAC Name: O-methyl N-benzylcarbamothioate
Structure
SMILES: COC(S)=NCC1=CC=CC=C1
InChI: InChI=1S/C9H11NOS/c1-11-9(12)10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,12)
InChIKey: HLVIWUVHOXMUET-UHFFFAOYSA-N
Reference
Isothiocyanates, thiourees et thiocarbamates isoles de Pentadiplandra brazzeana
PubChem CID: 13861629
CAS: 65263-72-1
LOTUS: LTS0250152
COCONUT: CNP0103481
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pentadiplandra brazzeana | Pentadiplandra | Pentadiplandraceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 181.26
TPSA？: 21.59
MolLogP？: 2.1188
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|