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Home >> Chemical Listing >> Page 1543 >> 6-Isothiocyanato-1,3-Benzothiazol-2(3H)-One

6-Isothiocyanato-1,3-Benzothiazol-2(3H)-One
[CAS# 42517-45-3]

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Identification
Name 6-Isothiocyanato-1,3-Benzothiazol-2(3H)-One
Synonyms 6-isothiocyanatobenzo[d]thiazol-2(3H)-one
Molecular Structure CAS#: 42517-45-3, 6-Isothiocyanato-1,3-Benzothiazol-2(3H)-One
Molecular Formula C8H4N2OS2
Molecular Weight 208.26
CAS Registry Number 42517-45-3
SMILES S=C=N\c1ccc2nc(O)sc2c1
InChI 1S/C8H4N2OS2/c11-8-10-6-2-1-5(9-4-12)3-7(6)13-8/h1-3H,(H,10,11)
InChIKey JPJDJLGIJZRLTH-UHFFFAOYSA-N
Properties
Density 1.552g/cm3 (Cal.)
Boiling point 472.717°C at 760 mmHg (Cal.)
Flash point 239.691°C (Cal.)
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