HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 737375Erstellt: 27. Oktober 2026
Benzylthioharnstoff
N-BENZYLTHIOUREA · 1-BENZYLTHIOUREA · Benzylthiourea · Benzylthiourea >1-BENZYL-2-THIOUREA · (phenylmethyl)-Thiourea · 1-(Phenylmethyl)thiourea · Thiourea, (phenylmethyl)- · Thiourea, N-(phenylmethyl)-
https://huagongshe.com/de/chemical/737375
Identifikatoren & physikalische Daten
| CAS No. | 621-83-0 |
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| Summenformel | C8H10N2S |
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| Durchschnittliche Molmasse | 166,25 g/mol |
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| Monoisotopische Masse | 166,05646932 g/mol |
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| SMILES | NC(=S)NCc1ccccc1 |
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| InChIKey | UCGFRIAOVLXVKL-UHFFFAOYSA-N |
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| PubChem CID | 737375 |
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| ChEMBL | CHEMBL1087841 |
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| EC No. | 210-709-9 |
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| DTXSID | DTXSID40211158 |
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| Lokaler Name | Benzylthioharnstoff |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 70,1 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 130 |
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| Schmelzpunkt | 163-165°C |
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| Siedepunkt | 300.9±35.0 °C(Predicted) |
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| Dichte | 1.189±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 14.77±0.29(Predicted) |
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| Farbe | White to Almost white |
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| BRN | 972372 |
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| InChI | InChI=1S/C8H10N2S/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11) |
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| InChIKey | UCGFRIAOVLXVKL-UHFFFAOYSA-N |
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| SMILES | N(CC1=CC=CC=C1)C(N)=S |
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| CAS Datenbank | 621-83-0(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 3 (75%) |
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| UN-Transportnummer | UN 2811 6.1/PG III |
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| Zollcode | 2930909899 |
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| R-Sätze (R) | 22 |
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| Sicherheitshinweise (S) | 22-36/37 |
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| Gefahrenklasse | 6.1 |
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| Verpackungsgruppe | III |
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