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1,3-Diazepane-2-Thione
[CAS# 5700-04-9]

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Identification
Name 1,3-Diazepane-2-Thione
Synonyms 1,3-Diazepin-2-Thione, Hexahydro-; Hexahydro-1,3-Diazepin-2-Thione; N,N'-Tetramethylenethiourea
Molecular Structure CAS#: 5700-04-9, 1,3-Diazepane-2-Thione
Molecular Formula C5H10N2S
Molecular Weight 130.21
CAS Registry Number 5700-04-9
SMILES C1NC(NCCC1)=S
InChI 1S/C5H10N2S/c8-5-6-3-1-2-4-7-5/h1-4H2,(H2,6,7,8)
InChIKey ZLJLVKBAMJHNJH-UHFFFAOYSA-N
Properties
Density 1.148g/cm3 (Cal.)
Boiling point 194.37°C at 760 mmHg (Cal.)
Flash point 71.353°C (Cal.)
References
(1) Azizollah Beheshti, William Clegg, Rahman Khorramdin, Valiollah Nobakht and Luca Russo. Synthesis and structural characterization of mixed-metal complexes of CuI with MOS3 cores (M = Mo, W) and of an unusual polymeric AgI/mercaptoimidazole complex with five different AgI coordination environments, Dalton Trans., 2011, 40, 2815.
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