HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178636498Generated: November 1, 2026
4-(4-Formyl-2-pyrimidinyl)phenyl 2-thiophenecarboxylate
4-(4-FORMYL-2-PYRIMIDINYL)PHENYL 2-THIOPHENECARBOXYLATE · 2-Thiophenecarboxylic acid, 4-(4-formyl-2-pyrimidinyl)phenyl ester
https://huagongshe.com/en/chemical/178636498
Identifiers & Physical Properties
| CAS No. | 477870-92-1 |
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| Molecular formula | C16H10N2O3S |
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| Average molar mass | 310.3 g/mol |
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| Monoisotopic mass | 310.04121336 g/mol |
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| SMILES | O=Cc1ccnc(-c2ccc(OC(=O)c3cccs3)cc2)n1 |
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| InChIKey | OAZCRQNFAPGVKD-UHFFFAOYSA-N |
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| PubChem CID | 1491217 |
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Chemical & Physical Properties
| XLogP | 3.1 |
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| Topological polar surface area | 97.4 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 22 |
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| Formal charge | 0 |
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| Complexity | 399 |
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| Boiling point | 421.9±45.0 °C(Predicted) |
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| Density | 1.374±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | -0.90±0.23(Predicted) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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Safety & Regulations
| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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