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Home >> Chemical Listing >> Page 2904 >> [3-(2-Thienylmethyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]acetic acid

[3-(2-Thienylmethyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]acetic acid
[CAS# 892874-27-0]

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Identification
Name [3-(2-Thienylmethyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]acetic acid
Molecular Structure CAS#: 892874-27-0, [3-(2-Thienylmethyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]acetic acid
Molecular Formula C9H9N3O2S2
Molecular Weight 255.32
CAS Registry Number 892874-27-0
SMILES OC(=O)CN1C(=N\NC1=S)/Cc2cccs2
InChI 1S/C9H9N3O2S2/c13-8(14)5-12-7(10-11-9(12)15)4-6-2-1-3-16-6/h1-3H,4-5H2,(H,11,15)(H,13,14)
InChIKey YOFNIMYLKPTYCU-UHFFFAOYSA-N
Properties
Density 1.611g/cm3 (Cal.)
Boiling point 431.823°C at 760 mmHg (Cal.)
Flash point 214.959°C (Cal.)
Refractive index 1.769 (Cal.)
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