tert-butyl N-(1,3-thiazol-2-yl)carbamate

HCID 11858898

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Grundinformationen

CAS: 170961-15-6
Standard-SMILES: CC(C)(C)OC(=O)Nc1nccs1
InChIKey: NCJXQSNROJRSSL-UHFFFAOYSA-N
Summenformel: C8H12N2O2S
Durchschnittliche Molmasse: 200,26 g/mol
Monoisotopische Masse: 200,0619488

Namen und Bezeichner

Bevorzugter Name: tert-butyl N-(1,3-thiazol-2-yl)carbamate
IUPAC: tert-butyl N-(1,3-thiazol-2-yl)carbamate
Englischer Name: Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI)
Summenformel: C8H12N2O2S
Molmasse: 200.26

Namen und Synonyme

Tert-butyl N-(1,3-thiazol-2-yl)carbamateRefChem:895209693-836-6tert-Butyl Thiazol-2-ylcarbamate170961-15-6N-Boc-2-AminothiazoleN-Boc-2-thiazolamineMFCD090383272-(BOC-AMINO)THIAZOLECarbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI)SCHEMBL14720N-Boc-2-aminothiazole, 95%

Weitere Namen anzeigen

2-(Boc-amino)thiazole,97%2-(Boc-aMino)thiazole, 97%1-(Boc-aMino)thiazole, 97%CarbaMic acid, 2-thiazolyl-2-t-butoxycarbonylamino-1,3-thiazole2-(N-tert-butyl formate)amino thiazole2 - (tert butyl n-formate) aminothiazole

2-(TERT-BUTOXYCARBONYLAMINO)THIAZOLEVGA96115AR2546AKOS000279453CS-W015607Tert-butyl 1,3-thiazol-2-ylcarbamateSY110260FT-0697815

Datenbank-Bezeichner

CAS: 170961-15-6
PubChem CID: 11858898
DTXSID: DTXSID70474491
EC Number: 693-836-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 79,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 191

Physikochemische Eigenschaften

Schmelzpunkt: 180 · 180-185℃
Dichte: 1.242 · 1.242±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 5.25 · 5.25±0.70(Predicted)
InChI: InChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)10-6-9-4-5-13-6/h4-5H,1-3H3,(H,9,10,11)
InChIKey: NCJXQSNROJRSSL-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC1=NC=CS1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 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.