tert-butyl N-(1,3-thiazol-4-yl)carbamate

HCID 53241636CAS 1235406-42-4

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Basic information

Standard SMILES: CC(C)(C)OC(=O)Nc1cscn1
InChIKey: NNPOFSOQPYVUDW-UHFFFAOYSA-N
Molecular formula: C8H12N2O2S
Average molar mass: 200.26 g/mol
Monoisotopic mass: 200.06194862

Names & identifiers

Preferred name: tert-butyl N-(1,3-thiazol-4-yl)carbamate
IUPAC: tert-butyl N-(1,3-thiazol-4-yl)carbamate
English name: tert-butyl thiazol-4-ylcarbamate
Molecular formula: C8H12N2O2S
Molecular weight: 200.26

Names & synonyms

tert-butyl N-(1,3-thiazol-4-yl)carbamateRefChem:895210862-884-1tert-Butyl thiazol-4-ylcarbamate1235406-42-44-(Boc-amino)thiazoletert-Butyl thiazol-4-yl-carbamateMFCD18800853Carbamic acid, N-4-thiazolyl-, 1,1-dimethylethyl ester4-(BOC-AMINO)-THIAZOLEtert-butyl 1,3-thiazol-4-ylcarbamateThiazol-4-ylcarbamic acid tert-butyl ester

Show more names

100682TERT-BUTYL(1,3-THIAZOL-4-YL)tert-butyl (1,3-thiazol-4-yl)carbamate(1,3-Thiazol-4-yl)carbamic acid tert-butyl ester

tert-Butylthiazol-4-ylcarbamateSCHEMBL165039SCHEMBL9481466DTXSID70692875NNPOFSOQPYVUDW-UHFFFAOYSA-Ntert-butyl N-thiazol-4-ylcarbamateCS-B0999AKOS008154414

Database identifiers

CAS: 1235406-42-4
PubChem CID: 53241636
DTXSID: DTXSID70692875
EC Number: 862-884-1

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 79.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 191

Physicochemical properties

Melting point: 153 · 153-155 °C
Boiling point: 254.9 · 254.9±13.0 °C(Predicted)
Density: 1.242 · 1.242±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 12.39 · 12.39±0.70(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H302-H315-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H302-H315-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

Usestert-butyl thiazol-4-ylcarbamate is an organic intermediate that can be prepared from thiazole-4-carboxylic acid via the Curtiss rearrangement reaction.