MetaADEDB 2.0 @ LMMD
phenethyl isothiocyanate
(IZJDOKYDEWTZSO-UHFFFAOYSA-N)
Structure
SMILES
S=C=NCCc1ccccc1
Type(s)
Investigational
Molecular Formula:
C9H9NS
Molecular Weight:
163.239
Log P:
2.3319
Hydrogen Bond Acceptor:
2
Hydrogen Bond Donor:
0
TPSA:
44.45
CAS Number(s):
2257-09-2; 130638
Synonym(s)
1.
phenethyl isothiocyanate
2.
2-phenylethyl isothiocyanate
3.
PEITC
4.
PEITC compound
5.
beta-phenylethyl isothiocyanate
6.
phenethylisothiocyanate
7.
phenylethyl isothiocyanate
External Link(s)
MeSHC058305
PubChem Compound16741
BindingDB50240850
ChEBI351346
CHEMBLCHEMBL151649
DrugBankDB12695
Therapeutic Target DatabaseD07AOL
ZINC2022074
Adverse Drug Event(s)
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