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545589

Sigma-Aldrich

3-(Acetylthio)propionitrile

97%

Synonym(s):

3-Acetylsulfanylpropionitrile

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About This Item

Linear Formula:
CH3COS(CH2)2CN
CAS Number:
Molecular Weight:
129.18
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

Assay

97%

refractive index

n20/D 1.4930 (lit.)

bp

246-247 °C (lit.)

density

1.120 g/mL at 25 °C (lit.)

SMILES string

CC(=O)SCCC#N

InChI

1S/C5H7NOS/c1-5(7)8-4-2-3-6/h2,4H2,1H3

InChI key

BMBATCYWJILFCR-UHFFFAOYSA-N

Application

3-(Acetylthio)propionitrile may be used in the synthesis of ethyl S-acetyl 3-mercaptopropionthioimidate ester hydrochloride.

Storage Class Code

12 - Non Combustible Liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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F Dosio et al.
Bioconjugate chemistry, 9(3), 372-381 (1998-05-20)
Several immunotoxins (ITs) were synthesized by the attachment of clavin, a recombinant toxic protein derived from Aspergillus clavatus, to the monoclonal antibody Mgr6 that recognizes an epitope of the gp185(HER-2) extracellular domain expressed on breast and ovarian carcinoma cells. Conjugation

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