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5-(Hydroxymethyl)-1-(4-Nitrobenzyl)-1,3-Dihydro-2H-Imidazole-2-Thione
[CAS# 114772-19-9]

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Identification
Name 5-(Hydroxymethyl)-1-(4-Nitrobenzyl)-1,3-Dihydro-2H-Imidazole-2-Thione
Synonyms [2-Mercapto-3-(4-nitro-benzyl)-3H-imidazol-4-yl]-methanol; 4-(hydroxymethyl)-3-[(4-nitrophenyl)methyl]-1H-imidazole-2-thione
Molecular Structure CAS#: 114772-19-9, 5-(Hydroxymethyl)-1-(4-Nitrobenzyl)-1,3-Dihydro-2H-Imidazole-2-Thione
Molecular Formula C11H11N3O3S
Molecular Weight 265.29
CAS Registry Number 114772-19-9
SMILES S=C1N(\C(=C/N1)CO)Cc2ccc([N+]([O-])=O)cc2
InChI 1S/C11H11N3O3S/c15-7-10-5-12-11(18)13(10)6-8-1-3-9(4-2-8)14(16)17/h1-5,15H,6-7H2,(H,12,18)
InChIKey KHWHBHFUZBUCJW-UHFFFAOYSA-N
Properties
Density 1.513g/cm3 (Cal.)
Boiling point 479.433°C at 760 mmHg (Cal.)
Flash point 243.753°C (Cal.)
Refractive index 1.727 (Cal.)
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