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4,5-Bis(Benzoylthio)-1,3-Dithiole-2-Thione
[CAS# 68494-08-6]

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Identification
Name 4,5-Bis(Benzoylthio)-1,3-Dithiole-2-Thione
Synonyms S-[[5-(Benzoylsulfanyl)-2-Thioxo-1,3-Dithiol-4-Yl]] Benzenecarbothioate; Benzenecarbothioic Acid S-[[5-[(Oxo-Phenylmethyl)Thio]-2-Thioxo-1,3-Dithiol-4-Yl]] Ester; Thiobenzoic Acid S-[[5-(Benzoylthio)-2-Thioxo-1,3-Dithiol-4-Yl]] Ester
Molecular Structure CAS#: 68494-08-6, 4,5-Bis(Benzoylthio)-1,3-Dithiole-2-Thione
Molecular Formula C17H10O2S5
Molecular Weight 406.56
CAS Registry Number 68494-08-6
SMILES C3=C(C(SC2=C(SC(C1=CC=CC=C1)=O)SC(S2)=S)=O)C=CC=C3
InChI 1S/C17H10O2S5/c18-13(11-7-3-1-4-8-11)21-15-16(24-17(20)23-15)22-14(19)12-9-5-2-6-10-12/h1-10H
InChIKey YQZPSSPUVUGQQS-UHFFFAOYSA-N
Properties
Density 1.557g/cm3 (Cal.)
Melting point 142°C (Expl.)
Boiling point 512.109°C at 760 mmHg (Cal.)
Flash point 263.514°C (Cal.)
Safety Data
SDS Available
References
(1) P. J. Cox and S. M. S. V. Doidge-Harrison. Redetermination of 4,5-Di(benzoylthio)-4,5-didehydro-1,3-dithiolane-2-thione at 120 K, Acta Cryst. (1996). C52, 720-722 
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