2-Methyl-1,3-benzothiazol-5-ol

HCID 699799CAS 68867-14-1

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Cc1nc2cc(O)ccc2s1
InChIKey: LAKVUPMDDFICNR-UHFFFAOYSA-N
Summenformel: C8H7NOS
Durchschnittliche Molmasse: 165,21 g/mol
Monoisotopische Masse: 165,02483502

Namen und Bezeichner

Bevorzugter Name: 2-Methyl-1,3-benzothiazol-5-ol
IUPAC: 2-methyl-1,3-benzothiazol-5-ol
Englischer Name: 2-Methyl-5-benzothiazolol
Summenformel: C8H7NOS
Molmasse: 165.21

Namen und Synonyme

68867-14-12-methyl-1,3-benzothiazol-5-olDTXSID40351427RefChem:474760DTXCID80302493628-788-72-methylbenzo[d]thiazol-5-ol2-Methyl-5-benzothiazolol5-benzothiazolol, 2-methyl-MFCD001922762-METHYLBENZOTHIAZOL-5-OL5-Chloro-2-(2,4-dichlorophenoxy)-phenol-13C6 Acetate

Weitere Namen anzeigen

2-Methylbenzothiazol-5-ol,97%2-METHYL-5-BENZOTHIAZOLOL 97%5-HYDROXY-2-METHYLBENZOTHIAZOLE5-Benzothiazolol,2-methyl-(6CI,9CI)

5-Chloro-2-(2,4-dichlorophenoxy)-phenol-13C6 1-Acetate2-methyl-benzothiazol-5-ol2-methyl- benzothiazol-5-olSCHEMBL282023SCHEMBL20895422-methyl-5-hydroxybenzothiazoleCHEMBL4534520SCHEMBL30106441

Datenbank-Bezeichner

CAS: 68867-14-1
PubChem CID: 699799
DTXSID: DTXSID40351427
ChEMBL: CHEMBL4534520
EC Number: 628-788-7
Nikkaji: J1.920.341G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 61,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 153

Physikochemische Eigenschaften

Schmelzpunkt: 193 · 193-195 °C(lit.)
storage temp.: 2 · 2-8°C
InChI: 1S/C8H7NOS/c1-5-9-7-4-6(10)2-3-8(7)11-5/h2-4,10H,1H3
InChIKey: LAKVUPMDDFICNR-UHFFFAOYSA-N
SMILES: Cc1nc2cc(O)ccc2s1
CAS Datenbank: 68867 · 68867-14-1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 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.