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2-(1H-1,2,4-Triazol-1-Yl)Ethanethioamide
[CAS# 339009-39-1]

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Identification
Name 2-(1H-1,2,4-Triazol-1-Yl)Ethanethioamide
Synonyms 2-([1,2,4]Triazol-1-yl)thioacetamide; MFCD00202433; ZINC01396537
Molecular Structure CAS#: 339009-39-1, 2-(1H-1,2,4-Triazol-1-Yl)Ethanethioamide
Molecular Formula C4H6N4S
Molecular Weight 142.18
CAS Registry Number 339009-39-1
SMILES S=C(N)Cn1ncnc1
InChI 1S/C4H6N4S/c5-4(9)1-8-3-6-2-7-8/h2-3H,1H2,(H2,5,9)
InChIKey WNKQHNJCTOJEKP-UHFFFAOYSA-N
Properties
Density 1.515g/cm3 (Cal.)
Melting point 146-147°C (Expl.)
Boiling point 338.845°C at 760 mmHg (Cal.)
Flash point 158.728°C (Cal.)
Refractive index 1.737 (Cal.)
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