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N-[3-(Methoxycarbonyl)Phenyl]Carbamimidothioic Acid
[CAS# 192948-00-8]

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Identification
Name N-[3-(Methoxycarbonyl)Phenyl]Carbamimidothioic Acid
Synonyms methyl 3-[(aminocarbonothioyl)amino]benzoate; methyl 3-[(aminocarbothioyl)amino]benzoate; methyl 3-[(aminothioxomethyl)amino]benzoate
Molecular Structure CAS#: 192948-00-8, N-[3-(Methoxycarbonyl)Phenyl]Carbamimidothioic Acid
Molecular Formula C9H10N2O2S
Molecular Weight 210.25
CAS Registry Number 192948-00-8
SMILES COC(=O)C1=CC(=CC=C1)NC(=N)S
InChI 1S/C9H10N2O2S/c1-13-8(12)6-3-2-4-7(5-6)11-9(10)14/h2-5H,1H3,(H3,10,11,14)
InChIKey KEAKBCHDLHTKKT-UHFFFAOYSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Boiling point 300.9±44.0°C at 760 mmHg (Cal.)
Flash point 135.8±28.4°C (Cal.)
Refractive index 1.605 (Cal.)
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