HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 345666Generated: November 3, 2026
4-Isothiocyanato-N-(pyridin-2-yl)benzene-1-sulfonamide
https://huagongshe.com/en/chemical/345666
Identifiers & Physical Properties
| CAS No. | 7403-88-5 |
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| Molecular formula | C12H9N3O2S2 |
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| Average molar mass | 291.4 g/mol |
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| Monoisotopic mass | 291.01361889 g/mol |
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| SMILES | O=S(=O)(Nc1ccccn1)c1ccc(N=C=S)cc1 |
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| InChIKey | ZVMCJLUDHSKSPH-UHFFFAOYSA-N |
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| PubChem CID | 345666 |
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| ChEMBL | CHEMBL4227718 |
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| DTXSID | DTXSID90323230 |
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Chemical & Physical Properties
| XLogP | 2.1 |
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| Topological polar surface area | 112 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 19 |
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| Formal charge | 0 |
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| Complexity | 432 |
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