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Oxodihydrothiochrome
[CAS# 99352-94-0]

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Identification
Name Oxodihydrothiochrome
Molecular Structure CAS#: 99352-94-0, Oxodihydrothiochrome
Molecular Formula C12H14N4O2S
Molecular Weight 278.33
CAS Registry Number 99352-94-0
SMILES C3=C2C(=O)N1C(SC(=C1C)CCO)NC2=NC(=N3)C
InChI 1S/C12H14N4O2S/c1-6-9(3-4-17)19-12-15-10-8(11(18)16(6)12)5-13-7(2)14-10/h5,12,17H,3-4H2,1-2H3,(H,13,14,15)
InChIKey SFFBMQWMODQHNO-UHFFFAOYSA-N
Properties
Density 1.504g/cm3 (Cal.)
Boiling point 564.2°C at 760 mmHg (Cal.)
Flash point 295.018°C (Cal.)
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