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CAS Number: 16563-14-7
4-oxotetrahydrothiophene-3-carbonitrile

Structure

 4-oxotetrahydrothiophene-3-carbonitrile
Name: 4-oxotetrahydrothiophene-3-carbonitrile
Synonyms:
General Information
Product Number: 16563147

CAS Registry Number 16563-14-7
Name:
3-?Thiophenecarbonitril?e, tetrahydro-?4-?oxo-
4-Cyano-3-oxotetrahydrothiophene
4-Cyanotetrahydro-3-thiophenone
4-Cyanothiolan-3-one
4-Cyanothiophan-3-one
4-Oxotetrahydrothiophene-3-carbonitrile

 

Chemical Formula: C5H5NOS
Exact Mass: 127.01
Molecular Weight: 127.16
m/z: 127.01 (100.0%), 128.01 (6.6%), 129.00 (4.5%)

 

Chemical Formula: C5H5NOS
Exact Mass: 127.01
Molecular Weight: 127.16
m/z: 127.01 (100.0%), 128.01 (6.6%), 129.00 (4.5%)

 

InChI:InChI=1S/C5H5NOS/c6-1-4-2-8-3-5(4)7/h4H,2-3H2

InChI Key:OHPSBDAUCJNDHP-UHFFFAOYSA-N

Canonical SMILES:C1C(C(=O)CS1)C#N

 

Thermal Properties Value Condition Note
Melting Point 72 °C   (6)CAS
Melting Point 71-72 °C   (5)IC

Specification

98%
References
  1. (5) Baraldi, P. G.; Synthesis 1985, (10), P969-70 CAPLUS
  2. (6) NL 6604742 1966 CAPLUS
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