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