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CAS Number: 100516-98-1
4-methylthiazole-2-carbonitrile

Structure

4-methylthiazole-2-carbonitrile
Name: 4-methylthiazole-2-carbonitrile
Synonyms:
General Information
Product Number: 100516981
CAS Registry Number: 100516-98-1
Name:
        2-​Thiazolecarbonitrile​, 4-​methyl-
        4-​Methylthiazole-​2-​carbonitrile 
 
Chemical Formula: C5H4N2S
Exact Mass: 124.01
Molecular Weight: 124.16
m/z: 124.01 (100.0%), 125.01 (6.9%), 126.01 (4.6%)
Elemental Analysis: C, 48.37; H, 3.25; N, 22.56; S, 25.82
 
InChI: InChI=1S/C5H4N2S/c1-4-3-8-5(2-6)7-4/h3H,1H3
InChIKey: ZLJOKRUAKFPDRN-UHFFFAOYSA-N
Canonical SMILES : CC1=CSC(=N1)C#N
 
Thermal Properties Value Condition Note
Melting Point 196 °C   (1)CAS
Melting Point 40-42 °C   (2)CAS

Specification

98%

References
  1. (1) Khanna, Ish K.; Journal of Medicinal Chemistry 2000, V43(16), P3168-3185 CAPLUS
  2. (2) Sycheva, T. P.; Zhurnal Obshchei Khimii 1959, V29, P1135-9 CAPLUS
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