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Acetophenone Thiosemicarbazide
[CAS 2302-93-4]

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Identification
Name Acetophenone Thiosemicarbazide
Synonyms Mls000779449; Smr000416181; Aids-024364
Molecular Structure CAS#: 2302-93-4, Acetophenone Thiosemicarbazide
Molecular Formula C9H11N3S
Molecular Weight 193.27
CAS Registry Number 2302-93-4
SMILES C1=C(C(=N/NC(N)=S)/C)C=CC=C1
InChI 1S/C9H11N3S/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-6H,1H3,(H3,10,12,13)/b11-7+
InChIKey JMULZUQMMLAALR-YRNVUSSQSA-N
Properties
Density 1.186g/cm3 (Cal.)
Boiling point 322.674°C at 760 mmHg (Cal.)
Flash point 148.948°C (Cal.)
Safety Data
SDS Available
References
(1) Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370
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