117038-39-8
3-ISOBUTYL-2-THIOXO-2,3-DIHYDRO-4(1H)-QUINAZOLINONE
Name
3-ISOBUTYL-2-THIOXO-2,3-DIHYDRO-4(1H)-QUINAZOLINONE
Formula
C12 H14 N2 O S
MolWeight
234.322
1Identification
【Name】
3-ISOBUTYL-2-THIOXO-2,3-DIHYDRO-4(1H)-QUINAZOLINONE
【CAS】
【MDL】
MFCD00175721
【English Synonyms】
【Formula】
C12 H14 N2 O S
【MolWeight】
234.322
【Inchi】
InChI=1S/C12H14N2OS/c1-8(2)7-14-11(15)9-5-3-4-6-10(9)13-12(14)16/h3-6,8H,7H2,1-2H3,(H,13,16)
【InChIKey】
InChIKey=RFGUKOKQKYFARZ-UHFFFAOYSA-N
【SMILES】
CC(C)Cn1c(=O)c2ccccc2[nH]c1=S
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-ISOBUTYL-2-THIOXO-2,3-DIHYDRO-4(1H)-QUINAZOLINONE.cml
Quick Release
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