CAS 1072-99-7 1-Methylpiperidine-4-thiol (HCID 14180391)

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Grundinformationen

CAS: 1072-99-7
Standard-SMILES: CN1CCC(S)CC1
InChIKey: TXVSXWOWWHALFQ-UHFFFAOYSA-N
Summenformel: C6H13NS
Durchschnittliche Molmasse: 131,24 g/mol

Namen und Bezeichner

Bevorzugter Name: 1-Methylpiperidine-4-thiol
IUPAC: 1-methylpiperidine-4-thiol

Namen und Synonyme

1-methylpiperidine-4-thiol1072-99-7RefChem:434663826-653-9MFCD106868521-methyl-piperidine-4-thiol1-methyl-4-piperidinethiol1-Methyl-4-mercaptopiperidin1-methyl-4-mercaptopiperidineSCHEMBL1708955SCHEMBL3538191TXVSXWOWWHALFQ-UHFFFAOYSA-N

Weitere Namen anzeigen

AKOS009260007AT13364BS-12856SY460740CS-0216195EN300-36160F640267

Datenbank-Bezeichner

CAS: 1072-99-7
PubChem CID: 14180391
EC Number: 826-653-9
Nikkaji: J1.338.229H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 4,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 66,9

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.