HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 83115Generated: October 23, 2026
5-Anilino-1,2,3,4-thiatriazole
Nsc 44915 · 5-(Phenylamino)thiatriazole · 1,2,3,4-Thiatriazole, 5-anilino- · 5-Phenylamino-1,2,3,4-thiatriazole · N-Phenyl-1,2,3,4-thiatriazol-5-amine · phenyl-[1,2,3,4]thiatriazol-5-yl-amine · 1,2,3,4-Thiatriazole, 5-anilino- (8ci) · 1,2,3,4-Thiatriazol-5-amine, N-phenyl-
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Identifiers & Physical Properties
| CAS No. | 13078-30-3 |
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| Molecular formula | C7H6N4S |
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| Average molar mass | 178.22 g/mol |
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| Monoisotopic mass | 178.03131719 g/mol |
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| SMILES | c1ccc(Nc2nnns2)cc1 |
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| InChIKey | WBIAWXNTQCZGMO-UHFFFAOYSA-N |
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| PubChem CID | 83115 |
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| EC No. | 683-014-5 |
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| DTXSID | DTXSID00156738 |
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Chemical & Physical Properties
| XLogP | 2.2 |
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| Topological polar surface area | 78.9 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 12 |
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| Formal charge | 0 |
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| Complexity | 137 |
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| Melting point | 142-143 °C (decomp) |
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| Boiling point | 299.6±23.0 °C(Predicted) |
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| Density | 1.429±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | -1.81±0.38(Predicted) |
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| EWG's Food Scores | 1 |
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| FDA UNII | 9KA7V67JKL |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H319-H315-H335 |
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| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
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| Customs code | 2934999090 |
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Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Customs code | 2934999090 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H319-H315-H335 |
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| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
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