Butanoic acid,3-isothiocyanato-,ethyl ester

Catalog Number

ACM206750290

Product Name

Butanoic acid,3-isothiocyanato-,ethyl ester

Structure

CAS

206750-29-0

Category

Heterocyclic Organic Compound

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

Molecular Weight

173.23

Molecular Formula

C₇H₁₁NO₂S

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

MSDS

COA

Spec Sheet