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5-(Benzothiazol-2-Ylsulfanylmethyl)-4-Phenyl-4H-[1,2,4]Triazole-3-Thiol
[CAS# 116710-50-0]

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Identification
Name 5-(Benzothiazol-2-Ylsulfanylmethyl)-4-Phenyl-4H-[1,2,4]Triazole-3-Thiol
Synonyms 5-[(1,3-Benzothiazol-2-Ylthio)Methyl]-4-Phenyl-2H-1,2,4-Triazole-3-Thione; Zinc00947285; Stock1s-92644
Molecular Structure CAS#: 116710-50-0, 5-(Benzothiazol-2-Ylsulfanylmethyl)-4-Phenyl-4H-[1,2,4]Triazole-3-Thiol
Molecular Formula C16H12N4S3
Molecular Weight 356.48
CAS Registry Number 116710-50-0
SMILES C4=C(N1C(=NNC1=S)CSC2=NC3=C(S2)C=CC=C3)C=CC=C4
InChI 1S/C16H12N4S3/c21-15-19-18-14(20(15)11-6-2-1-3-7-11)10-22-16-17-12-8-4-5-9-13(12)23-16/h1-9H,10H2,(H,19,21)
InChIKey DEYCSCCQLNRYNL-UHFFFAOYSA-N
Properties
Density 1.493g/cm3 (Cal.)
Boiling point 501.051°C at 760 mmHg (Cal.)
Flash point 256.827°C (Cal.)
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List of Reports Available for 5-(Benzothiazol-2-Ylsulfanylmethyl)-4-Phenyl-4H-[1,2,4]Triazole-3-Thiol
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