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4-Isothiocyanato-1,3-Benzothiazole
[CAS# 42517-29-3]

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Identification
Name 4-Isothiocyanato-1,3-Benzothiazole
Synonyms 4-isothiocyanatobenzo[d]thiazole
Molecular Structure CAS#: 42517-29-3, 4-Isothiocyanato-1,3-Benzothiazole
Molecular Formula C8H4N2S2
Molecular Weight 192.26
CAS Registry Number 42517-29-3
SMILES c1cc(c2c(c1)scn2)N=C=S
InChI 1S/C8H4N2S2/c11-4-9-6-2-1-3-7-8(6)10-5-12-7/h1-3,5H
InChIKey YLNPTZYTNWLJBF-UHFFFAOYSA-N
Properties
Density 1.405g/cm3 (Cal.)
Boiling point 350.802°C at 760 mmHg (Cal.)
Flash point 165.96°C (Cal.)
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