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1,3-Dimethylbenzimidazole-2-Thione
[CAS# 3418-46-0]

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Identification
Name 1,3-Dimethylbenzimidazole-2-Thione
Synonyms 1,3-Dimethyl-2-Benzimidazolethione; 1,3-Dime-Bit; 1,3-Dimethylbenzimidazoline-2-Thione
Molecular Structure CAS#: 3418-46-0, 1,3-Dimethylbenzimidazole-2-Thione
Molecular Formula C9H10N2S
Molecular Weight 178.25
CAS Registry Number 3418-46-0
SMILES C1=CC=CC2=C1N(C(N2C)=S)C
InChI 1S/C9H10N2S/c1-10-7-5-3-4-6-8(7)11(2)9(10)12/h3-6H,1-2H3
InChIKey CSYLYUAMXUGIFE-UHFFFAOYSA-N
Properties
Density 1.286g/cm3 (Cal.)
Boiling point 270.797°C at 760 mmHg (Cal.)
Flash point 117.574°C (Cal.)
References
(1) M. Carla Aragoni, Massimiliano Arca, Francesco Demartin, Francesco A. Devillanova, Alessandra Garau, Francesco Isaia, Vito Lippolis and Gaetano Verani. DFT calculations, structural and spectroscopic studies on the products formed between IBr and N,N'-dimethylbenzoimidazole-2(3H)-thione and -2(3H)-selone, Dalton Trans., 2005, 0, 2252.
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