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3-Allyl-7-Chloro-2-Mercapto-3H-Quinazolin-4-One
[CAS# 91063-29-5]

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Identification
Name 3-Allyl-7-Chloro-2-Mercapto-3H-Quinazolin-4-One
Synonyms 3-Allyl-7-Chloro-2-Thioxo-1H-Quinazolin-4-One; T0517-5208; Zinc03316917
Molecular Structure CAS#: 91063-29-5, 3-Allyl-7-Chloro-2-Mercapto-3H-Quinazolin-4-One
Molecular Formula C11H9ClN2OS
Molecular Weight 252.72
CAS Registry Number 91063-29-5
SMILES C1=CC(=CC2=C1C(N(CC=C)C(N2)=S)=O)Cl
InChI 1S/C11H9ClN2OS/c1-2-5-14-10(15)8-4-3-7(12)6-9(8)13-11(14)16/h2-4,6H,1,5H2,(H,13,16)
InChIKey PEBBWSPQZDQLDA-UHFFFAOYSA-N
Properties
Density 1.436g/cm3 (Cal.)
Boiling point 377.431°C at 760 mmHg (Cal.)
Flash point 182.064°C (Cal.)
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