Chemical Compound

AC1NGJG2

CAS Registry Number677015-38-2
AC1NGJG2 chemical structure
Primary record

AC1NGJG2

CAS
677015-38-2
PubChem CID
4775301
SMILES
C1=CC=C(C=C1)C(CN2C(=O)C3=CC=CC=C3NC2=S)O
Molecular Formula
C16H14N2O2S
Molecular Weight
298.367
Exact Mass
298.0776
InChI
InChI=1S/C16H14N2O2S/c19-14(11-6-2-1-3-7-11)10-18-15(20)12-8-4-5-9-13(12)17-16(18)21/h1-9,14,19H,10H2,(H,17,21)
InChIKey
ANDKYNDNSRPAAM-UHFFFAOYSA-N
LogP
2.7927
TPSA
58.02

Names and synonyms

  • AC1NGJG2
  • STL171672
  • AKOS005368119
  • CID4775301
  • 3-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one
  • 3-(2-hydroxy-2-phenyl-ethyl)-2-sulfanylidene-1H-quinazolin-4-one
  • 3-(2-HYDROXY-2-PHENYLETHYL)-2-SULFANYL-4(3H)-QUINAZOLINONE
  • 3-(2-hydroxy-2-phenylethyl)-2-sulfanylidene-1H-quinazolin-4-one
  • 677015-38-2