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5-(3,4,5-Trimethoxy-Phenyl)-[1,3,4]Oxadiazole-2-Thiol
[CAS# 23269-92-3]

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Identification
Name 5-(3,4,5-Trimethoxy-Phenyl)-[1,3,4]Oxadiazole-2-Thiol
Synonyms Aids-120877; Aa-504/34234008; T0515-0136
Molecular Structure CAS#: 23269-92-3, 5-(3,4,5-Trimethoxy-Phenyl)-[1,3,4]Oxadiazole-2-Thiol
Molecular Formula C11H12N2O4S
Molecular Weight 268.29
CAS Registry Number 23269-92-3
SMILES C1=C(OC)C(=C(OC)C=C1C2=NNC(=S)O2)OC
InChI 1S/C11H12N2O4S/c1-14-7-4-6(10-12-13-11(18)17-10)5-8(15-2)9(7)16-3/h4-5H,1-3H3,(H,13,18)
InChIKey IYUWDYZWKDQESI-UHFFFAOYSA-N
Properties
Density 1.382g/cm3 (Cal.)
Boiling point 358.526°C at 760 mmHg (Cal.)
Flash point 170.631°C (Cal.)
Safety Data
SDS Available
References
(1) Aamer Saeed, Muhammad Akram, Abdul Rauf and Michael Bolte . 5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione , Acta Cryst (2010). E66, o1911  
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