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Benzylisothiourea
[CAS# 621-85-2]

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Identification
Name Benzylisothiourea
Synonyms Phenylmethylsulfanylformamidine; (Phenylmethylthio)Formamidine; (Benzylthio)Formamidine
Molecular Structure CAS#: 621-85-2, Benzylisothiourea
Molecular Formula C8H10N2S
Molecular Weight 166.24
CAS Registry Number 621-85-2
SMILES C1=C(CSC(N)=N)C=CC=C1
InChI 1S/C8H10N2S/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10)
InChIKey GTRLQRHWPXEBLF-UHFFFAOYSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Boiling point 283.2±33.0°C at 760 mmHg (Cal.)
Flash point 125.1±25.4°C (Cal.)
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