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4-Pyrazolylbutylisothiourea
[CAS# 91918-09-1]

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CAS#: 91918-09-1
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Identification
Name 4-Pyrazolylbutylisothiourea
Synonyms 4-(1H-Pyrazol-4-Yl)Butylsulfanylformamidine; [4-(1H-Pyrazol-4-Yl)Butylthio]Formamidine; (4-Pyrazolyl)Butylisothiourea
Molecular Structure CAS#: 91918-09-1, 4-Pyrazolylbutylisothiourea
Molecular Formula C8H14N4S
Molecular Weight 198.29
CAS Registry Number 91918-09-1
SMILES C1=N[NH]C=C1CCCCSC(N)=N
InChI 1S/C8H14N4S/c9-8(10)13-4-2-1-3-7-5-11-12-6-7/h5-6H,1-4H2,(H3,9,10)(H,11,12)
InChIKey YMQYXKPNMLSMGO-UHFFFAOYSA-N
Properties
Density 1.319g/cm3 (Cal.)
Boiling point 412.779°C at 760 mmHg (Cal.)
Flash point 203.442°C (Cal.)
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