Molecular Identity
1-Naphthyl Isothiocyanate
1-isothiocyanatonaphthalene
PubChem CID: 11080
1-naphthyl isothiocyanate is an isothiocyanate. It has a role as an insecticide. It derives from a hydride of a naphthalene.
2D Structure
Properties
C11H7NS
Molecular Formula
185.25
Molecular Weight
g/mol
185.0299
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
44.5
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
220
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C2C(=C1)C=CC=C2N=C=SIsomeric SMILES
SMILES: C1=CC=C2C(=C1)C=CC=C2N=C=SSynonyms(20)
1-Naphthyl isothiocyanate551-06-41-ISOTHIOCYANATONAPHTHALENE1-NaphthylisothiocyanateANITKesscocidealpha-Naphthyl isothiocyanateNaphthalene, isothiocyanato-Isothiocyanic acid, 1-naphthyl ester1-Isothiocyanate-naphthaleneCHEBI:35455HG44814A3VNSC-897411 Naphthylisothiocyanatealpha Naphthylisothiocyanate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 1-Naphthyl Isothiocyanate
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