HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 122604Erstellt: 27. Oktober 2026
4-(Methylsulfanyl)butanoic acid
4-(Methylthio)butanoic acid · Butanoic acid, 4-(methylthio)- · 4-(Methylsulfanyl)butanoic acid
https://huagongshe.com/de/chemical/122604
Identifikatoren & physikalische Daten
| CAS No. | 32391-97-2 |
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| Summenformel | C5H10O2S |
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| Durchschnittliche Molmasse | 134,2 g/mol |
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| Monoisotopische Masse | 134,04015056 g/mol |
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| SMILES | CSCCCC(=O)O |
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| InChIKey | VDSUAILXEZKWIZ-UHFFFAOYSA-N |
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| PubChem CID | 122604 |
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| ChEMBL | CHEMBL4866078 |
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| EC No. | 842-074-4 |
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| DTXSID | DTXSID10954166 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
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| Polarare Oberfläche (TPSA) | 62,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 72,8 |
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| Aggregatzustand | solid |
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| InChI | InChI=1S/C5H10O2S/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H,6,7) |
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| InChIKey | VDSUAILXEZKWIZ-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)CCCSC |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 3 reports by companies from 3 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. 4 (66.7%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2 |
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