2-([1,2,4]TRIAZOL-1-YL)THIOACETAMIDE - CAS 339009-39-1

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Category
Main Product
Product Name
2-([1,2,4]TRIAZOL-1-YL)THIOACETAMIDE
Catalog Number
339009-39-1
Synonyms
2-([1,2,4]TRIAZOL-1-YL)THIOACETAMIDE
CAS Number
339009-39-1
Molecular Weight
0
Molecular Formula
C4H6N4S
COA
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MSDS
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Canonical SMILES
C1=NN(C=N1)CC(=S)N
InChI
InChI=1S/C4H6N4S/c5-4(9)1-8-3-6-2-7-8/h2-3H,1H2,(H2,5,9)
InChIKey
WNKQHNJCTOJEKP-UHFFFAOYSA-N
Structure
CAS 339009-39-1 2-([1,2,4]TRIAZOL-1-YL)THIOACETAMIDE
Specification
Purity
95%
Boiling Point
338.8ºC at 760 mmHg
Density
1.51g/cm3
Reference Reading
1.2-Benzoyl-N-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide and 2-(4-methoxybenzoyl)-N-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide.
Jian FF1, Xiao HL, Qin YQ, Xu LZ. Acta Crystallogr C. 2004 Jul;60(Pt 7):o492-3. Epub 2004 Jun 22.
In the two title compounds, C17H14N4OS, (I), and C18H16N4O2S, (II), the dihedral angles between the planes of the triazole and N-phenyl rings and the plane of five of the atoms that link these two rings are 63.5 (8) and 73.2 (6) degrees for (I), and 65.1 (1) and 72.1 (3) degrees for (II), respectively. There are some inter- and intramolecular interactions in the crystal structure.
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