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CAS Number: 69879-30-7
3-oxo-3-(thiophen-3-yl)propanenitrile

Structure

3-oxo-3-(thiophen-3-yl)propanenitrile
Name: 3-oxo-3-(thiophen-3-yl)propanenitrile
Synonyms:
General Information
Product Number: 69879307

CAS Registry Number 69879-30-7
Name:
3-​Thiophenepropanenitr​ile, β-​oxo-
3-Oxo-3-(3-thienyl)propanenitrile
3-Oxo-3-(thiophen-3-yl)propanenitrile
3-Oxo-3-thiophen-3-ylpropionitrile
3-Thenoylacetonitrile
β-Oxo-3-thiophenepropionitrile

 

Chemical Formula: C7H5NOS
Exact Mass: 151.01
Molecular Weight: 151.19
m/z: 151.01 (100.0%), 152.01 (8.8%), 153.00 (4.5%)

 

InChI:InChI=1S/C7H5NOS/c8-3-1-7(9)6-2-4-10-5-6/h2,4-5H,1H2

InChI Key:IWPZODDPZNLDAM-UHFFFAOYSA-N

Canonical SMILES:C1=CSC=C1C(=O)CC#N

 

Thermal Properties Value Condition Note
Melting Point 87-88 °C   (1)IC

Specification

98%

References

(1) Ridge, David N.; Journal of Medicinal Chemistry 1979, V22(11), P1385-9 CAPLUS

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