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3-Allyl-6-Chloro-2-Mercaptoquinazolin-4(3H)-One
[CAS# 49782-31-2]

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Identification
Name 3-Allyl-6-Chloro-2-Mercaptoquinazolin-4(3H)-One
Synonyms 3-Allyl-6-Chloro-2-Thioxo-1H-Quinazolin-4-One; Zinc03335938; T5215261
Molecular Structure CAS#: 49782-31-2, 3-Allyl-6-Chloro-2-Mercaptoquinazolin-4(3H)-One
Molecular Formula C11H9ClN2OS
Molecular Weight 252.72
CAS Registry Number 49782-31-2
SMILES C1=C2C(=CC=C1Cl)NC(=S)N(C2=O)CC=C
InChI 1S/C11H9ClN2OS/c1-2-5-14-10(15)8-6-7(12)3-4-9(8)13-11(14)16/h2-4,6H,1,5H2,(H,13,16)
InChIKey FZJBOYPXMWSKSB-UHFFFAOYSA-N
Properties
Density 1.436g/cm3 (Cal.)
Boiling point 394.807°C at 760 mmHg (Cal.)
Flash point 192.573°C (Cal.)
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