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3-Antipyrinyl-1-Phenylthiourea
[CAS# 51641-29-3]

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Identification
Name 3-Antipyrinyl-1-Phenylthiourea
Synonyms 1-(1,5-Dimethyl-3-Oxo-2-Phenyl-Pyrazol-4-Yl)-3-Phenyl-Thiourea; 1-(1,5-Dimethyl-3-Oxo-2-Phenyl-4-Pyrazolyl)-3-Phenylthiourea; 1-(3-Keto-1,5-Dimethyl-2-Phenyl-Pyrazol-4-Yl)-3-Phenyl-Thiourea
Molecular Structure CAS#: 51641-29-3, 3-Antipyrinyl-1-Phenylthiourea
Molecular Formula C18H18N4OS
Molecular Weight 338.43
CAS Registry Number 51641-29-3
SMILES C3=C(N1C(C(=C(N1C)C)NC(NC2=CC=CC=C2)=S)=O)C=CC=C3
InChI 1S/C18H18N4OS/c1-13-16(20-18(24)19-14-9-5-3-6-10-14)17(23)22(21(13)2)15-11-7-4-8-12-15/h3-12H,1-2H3,(H2,19,20,24)
InChIKey YGXLLLUEADCXET-UHFFFAOYSA-N
Properties
Density 1.338g/cm3 (Cal.)
Boiling point 458.702°C at 760 mmHg (Cal.)
Flash point 231.215°C (Cal.)
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