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PubChem ID: 563748
5-benzylsulfanyl-3-phenyl-1,2-oxazole
Compound Details
Synonymous names
Isoxazole, 5-(benzylthio)-3-phenyl-
Isoxazole, 3-phenyl-5-[(phenylmethyl)thio]-
28884-17-5
CHEMBL3276988
5-(benzylthio)-3-phenylisoxazole
TZGSQRNPJUQWND-UHFFFAOYSA-N
5-(Benzylsulfanyl)-3-phenylisoxazole #
Microorganism:
No
IUPAC name
5-benzylsulfanyl-3-phenyl-1,2-oxazole
SMILES
C1=CC=C(C=C1)CSC2=CC(=NO2)C3=CC=CC=C3
Inchi
InChI=1S/C16H13NOS/c1-3-7-13(8-4-1)12-19-16-11-15(17-18-16)14-9-5-2-6-10-14/h1-11H,12H2
Formula
C
1
6
H
1
3
NOS
PubChem ID
563748
Molweight
267.3
LogP
4.4
Atoms
19
Bonds
4
H-bond Acceptor
3
H-bond Donor
0
Chemical Classification
aromatic compounds
nitrogen compounds
benzenoids
oxazoles
sulfur compounds
thioethers
mVOC Specific Details
Species emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Eukaryota
Verticillium Longisporum
collection TU Graz
Rybakova et al. 2017
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Eukaryota
Verticillium Longisporum
potato dextrose agar (PDA), Czapek Dox liquid culture
GC-MS / SPME
no