HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 838136Generated: November 3, 2026
2-(4-Iodophenyl)-1,3-benzothiazole
2-(4-iodophenyl)benzo[d]thiazole · Benzothiazole, 2-(4-iodophenyl)-
https://huagongshe.com/en/chemical/838136
Identifiers & Physical Properties
| CAS No. | 19654-21-8 |
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| Molecular formula | C13H8INS |
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| Average molar mass | 337.18 g/mol |
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| Monoisotopic mass | 336.94222 g/mol |
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| SMILES | Ic1ccc(-c2nc3ccccc3s2)cc1 |
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| InChIKey | CCIXKKKCHOKBCR-UHFFFAOYSA-N |
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| PubChem CID | 838136 |
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| EC No. | 131-730-9 |
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| DTXSID | DTXSID901307707 |
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Chemical & Physical Properties
| XLogP | 4.9 |
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| Topological polar surface area | 41.1 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 16 |
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| Formal charge | 0 |
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| Complexity | 240 |
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| Boiling point | 413.7±47.0 °C(Predicted) |
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| Density | 1.741±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 0.38±0.10(Predicted) |
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Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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