120-75-2
AlkaPlorer ID: AK031481
Synonym: None
IUPAC Name: 2-methyl-1,3-benzothiazole
Structure
SMILES: CC1=NC2=CC=CC=C2S1
InChI: InChI=1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
InChIKey: DXYYSGDWQCSKKO-UHFFFAOYSA-N
Reference
New volatile constituents of black tea aroma
PubChem CID: 8446
CAS: 120-75-2
LOTUS: LTS0253038
SuperNatural Ⅲ: SN0078493
COCONUT: CNP0308312
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Camellia sinensis | Camellia | Theaceae | Ericales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 149.21799999999996
TPSA？: 12.89
MolLogP？: 2.6047200000000013
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 1000.0 | ug.mL-1 | 10.1016/j.ejmech.2013.03.031 |
| Homo sapiens | Indoleamine 2,3-dioxygenase | Inhibition | 12.0 | % | 10.1016/j.bmc.2013.10.037 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 1000.0 | ug.mL-1 | 10.1016/j.ejmech.2013.03.031 |
| Schizosaccharomyces pombe | Schizosaccharomyces pombe | MIC | 250.0 | ug.mL-1 | 10.1016/j.ejmech.2013.03.031 |
| None | No relevant target | LogP | 2.085 | None | 10.1016/j.ejmech.2013.03.031 |