Grundinformationen
- Standard-SMILES
CNC(=O)CCS- InChIKey
VYQTZFNKSHBQKY-UHFFFAOYSA-N- Summenformel
- C4H9NOS
- Durchschnittliche Molmasse
- 119,19 g/mol
- Monoisotopische Masse
- 119,04048508
Namen und Bezeichner
- Bevorzugter Name
- 3-Mercapto-N-methylpropanamide
- IUPAC
- N-methyl-3-sulfanylpropanamide
- Englischer Name
- Propanamide, 3-mercapto-N-methyl-
- Summenformel
- C4H9NOS
- Molmasse
- 119.19
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
52334-99-3- PubChem CID
- 642906
- DTXSID
DTXSID20886000- EC Number
- 610-826-9
- Nikkaji
- J422.600C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,2
- Polarare Oberfläche (TPSA)
- 30,1 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 64
Physikochemische Eigenschaften
- storage temp.
- Sealed in dry,Room Temperature
- EPA chemische Informationen
- 3 · Propanamide, 3-mercapto-N-methyl- (52334-99-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (97.9%): Toxic if swallowed [Danger Acute toxicity, oral];H312+H332 (39.4%): Harmful in contact with skin or if inhaled [Warning Acute toxicity, dermal; acute toxicity, inhalation];H312 (97.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H332 (97.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 94 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 16-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26584
Regulatorische Informationen
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 16-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26584
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
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