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Structure

Ethyl 3-cyano-2-mercapto-6-methylisonicotinate

CAS
56891-69-1
Catalog Number
ACM56891691
Category
Other Products
Molecular Weight
222.26
Molecular Formula
C10H10N2O2S

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Specification

Synonyms
ZINC00075552, CID6923015, 56891-69-1
IUPAC Name
3-cyano-4-ethoxycarbonyl-6-methylpyridine-2-thiolate
Canonical SMILES
CCOC(=O)C1=C(C(=S)NC(=C1)C)C#N
InChI Key
WBMMFDGNOQLZNF-UHFFFAOYSA-M
Boiling Point
302.8ºC at 760mmHg
Melting Point
214ºC
Flash Point
136.9ºC
Density
1.29g/cm³
Exact Mass
222.04600
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
5
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S36/37/39
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