MetaADEDB 2.0 @ LMMD
phenylisothiocyanate
(QKFJKGMPGYROCL-UHFFFAOYSA-N)
Structure
SMILES
S=C=Nc1ccccc1
Molecular Formula:
C7H5NS
Molecular Weight:
135.186
Log P:
2.4209
Hydrogen Bond Acceptor:
2
Hydrogen Bond Donor:
0
TPSA:
44.45
CAS Number(s):
103-72-0
Synonym(s)
1.
phenylisothiocyanate
2.
phenyl isothiocyanate
External Link(s)
MeSHC005441
PubChem Compound7673
BindingDB50073665
ChEBI85103
CHEMBLCHEMBL309036
ZINC164500
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Dermatitis, Allergic Contact21073181CTD
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