Identifiers & Physical Properties
| CAS No. | 56236-74-9 |
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| Molecular formula | C7H8N2O2S2 |
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| Average molar mass | 216.3 g/mol |
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| Monoisotopic mass | 216.0027195 g/mol |
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| SMILES | NC(=S)c1ccc(S(N)(=O)=O)cc1 |
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| InChIKey | HELROTSKXOWDJY-UHFFFAOYSA-N |
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| PubChem CID | 3003266 |
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| EC No. | 164-206-3 |
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| DTXSID | DTXSID20388251 |
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Chemical & Physical Properties
| XLogP | -0.2 |
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| Topological polar surface area | 127 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 13 |
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| Formal charge | 0 |
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| Complexity | 286 |
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Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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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