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2,5-Dimethoxyphenethyl isothiocyanate

CAS
56771-74-5
Catalog Number
ACM56771745
Category
Other Products
Molecular Weight
223.29
Molecular Formula
C11H13NO2S

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Specification

Synonyms
2,5-Dimethoxyphenethyl isothiocyanate, 2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene, 56771-74-5, ZINC02574327, AC1LC05Z, CTK5A5688, MolPort-000-154-642, AKOS015851852, 2,5-dimethyloxyphenethyl isothiocyanate, KB-86134, FT-0640409, 2-(2-isothiocyanatoethyl)-1,4-dimethoxy-benzene, A831170, Benzene,2-(2-isothiocyanatoethyl)-1,4-dimethoxy-, Benzene, 2-(2-isothiocyanatoethyl)-1,4-dimethoxy-, I09-2725
IUPAC Name
2-(2-isothiocyanatoethyl)-1,4-dimethoxybenzene
Canonical SMILES
COC1=CC(=C(C=C1)OC)CCN=C=S
InChI Key
QYVVYOAJVPHNPR-UHFFFAOYSA-N
Boiling Point
357.7ºC at 760mmHg
Flash Point
170.1ºC
Density
1.08g/cm³
Exact Mass
223.06700
H-Bond Acceptor
4
H-Bond Donor
0
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