194479-18-0

Name Benzoic acid, 4-[(2-pyrimidinylthio)methyl]-
CAS 194479-18-0
Molecular Formula C12H10N2O2S
MDL Number MFCD01829640
Molecular Weight 246.29
MOL File 194479-18-0.mol
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Chemical Properties

Boiling point  464.4±38.0 °C(Predicted)
density  1.38±0.1 g/cm3(Predicted)
form  powder
pka 4.12±0.10(Predicted)
InChI 1S/C12H10N2O2S/c15-11(16)10-4-2-9(3-5-10)8-17-12-13-6-1-7-14-12/h1-7H,8H2,(H,15,16)
InChIKey AWYQMGKBUVAEHY-UHFFFAOYSA-N
SMILES O=C(O)C1=CC=C(C=C1)CSC2=NC=CC=N2

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

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