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Home >> Chemical Listing >> Page 1152 >> 1,3,4-Thiadiazole

1,3,4-Thiadiazole
[CAS# 289-06-5]

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Identification
Name 1,3,4-Thiadiazole
Synonyms Chebi:39472; Thiadiazole
Molecular Structure CAS#: 289-06-5, 1,3,4-Thiadiazole
Molecular Formula C2H2N2S
Molecular Weight 86.11
CAS Registry Number 289-06-5
SMILES C1=NN=CS1
InChI 1S/C2H2N2S/c1-3-4-2-5-1/h1-2H
InChIKey MBIZXFATKUQOOA-UHFFFAOYSA-N
Properties
Density 1.318g/cm3 (Cal.)
Boiling point 127.555°C at 760 mmHg (Cal.)
Flash point 39.22°C (Cal.)
Safety Data
SDS Available
References
(1) Janez Seliger, Veselko Žagar and Jolanta N. Latosińska. N NQR, H NMR and DFT/QTAIM study of hydrogen bonding and polymorphism in selected solid 1,3,4-thiadiazole derivatives, Phys. Chem. Chem. Phys., 2010, 12, 13007.
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