HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2781094Generated: October 23, 2026
1-Phenylthiosemicarbazide
2-Phenylhydrazine-1-carbothioamide · USAF EL-45 · Anilinourea · USAF EX-5426 · anilinothiourea · 1-Anilinothiourea · 1-PHENYLTHIOSEMICARBAZIDE · 1-phenyl-3-thio-semicarbazid
https://huagongshe.com/en/chemical/2781094
Identifiers & Physical Properties
| CAS No. | 645-48-7 |
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| Molecular formula | C7H9N3S |
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| Average molar mass | 167.23 g/mol |
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| Monoisotopic mass | 167.05171829 g/mol |
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| SMILES | NC(=S)NNc1ccccc1 |
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| InChIKey | JDXKTOBMLZLCSB-UHFFFAOYSA-N |
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| PubChem CID | 2781094 |
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| EC No. | 211-444-1 |
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| DTXSID | DTXSID9060948 |
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Chemical & Physical Properties
| XLogP | 0.7 |
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| Topological polar surface area | 82.2 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 11 |
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| Formal charge | 0 |
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| Complexity | 132 |
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| Melting point | ~200 °C (dec.) |
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| Boiling point | 287.4±23.0 °C(Predicted) |
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| Density | 1.1960 (rough estimate) |
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| Refractive index | 1.5500 (estimate) |
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| Storage conditions | Sealed in dry,Room Temperature |
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| Physical state | powder to crystal |
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| pKa (acidity coefficient) | 9.10±0.70(Predicted) |
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| Color | White to Light yellow to Light orange |
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| BRN | 743312 |
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| CAS DataBase Reference | 645-48-7(CAS DataBase Reference) |
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| FDA UNII | 6EE7260GUN |
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| EPA Substance Registry System | Hydrazinecarbothioamide, 2-phenyl- (645-48-7) |
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| GHS pictogram | GHS06 |
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| Signal word | Danger |
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| GHS hazard statements | H301 |
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| GHS precautionary statements | P264-P270-P301+P310+P330-P405-P501-P301+P310 |
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| Hazard symbols | T |
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| Risk statements (R) | 25 |
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| Safety statements (S) | 45 |
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| UN transport number | UN 2811 6.1/PG 2 |
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| Water hazard class (WGK) | 3 |
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| RTECS number | VT3850000 |
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| TSCA inventory status | TSCA listed |
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| Customs code | 2930.20.2050 |
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| Hazard class | 6.1(b) |
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| Packing group | III |
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Safety & Regulations
| GHS classification | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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| Water hazard class (WGK) | 3 |
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| TSCA inventory status | TSCA listed |
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| RTECS number | VT3850000 |
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| UN transport number | UN 2811 6.1/PG 2 |
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| Customs code | 2930.20.2050 |
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| Risk statements (R) | 25 |
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| Signal word | Danger |
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| GHS pictogram | GHS06 |
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| Hazard symbols | T |
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| Safety statements (S) | 45 |
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| Hazard class | 6.1(b) |
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| Packing group | III |
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| GHS hazard statements | H301 |
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| GHS precautionary statements | P264-P270-P301+P310+P330-P405-P501-P301+P310 |
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