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Structure

Butanoic acid,3-isothiocyanato-,ethyl ester

CAS
206750-29-0
Catalog Number
ACM206750290
Category
Other Products
Molecular Weight
173.23
Molecular Formula
C7H11NO2S

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Specification

Synonyms
Ethyl 3-isothiocyanatobutyrate, Ethyl 3-isothiocyanatobutanoate, 206750-29-0, Ethyl dl-3-isothiocyanatobutyrate, AC1LBK0Z, AC1Q64YX, ACMC-1CJ15, Ethyl 3-isothiocyanatobutanoate;, CTK1A1811, MolPort-000-155-280, AR-1I8861, AKOS006229640, AG-K-76231, MCULE-9988633927, RP00135, 3-isothiocyanatobutanoic acid ethyl ester, KB-105305, FT-0626032, ST50825045, Y8194
IUPAC Name
ethyl 3-isothiocyanatobutanoate
Canonical SMILES
CCOC(=O)CC(C)N=C=S
InChI Key
BJPWLYQGLIRJLZ-UHFFFAOYSA-N
Boiling Point
87-88ºC 5mm
Exact Mass
173.05100
H-Bond Acceptor
4
H-Bond Donor
0
Packing Group
II
Safety Description
S26-S36/37/39
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