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Basic information
- CAS
1056942-45-0- Standard SMILES
C#Cc1cnc(NC(=O)OC(C)(C)C)s1- InChIKey
CNTJFZSVGGRYNF-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2S
- Average molar mass
- 224.28 g/mol
- Monoisotopic mass
- 224.0619488
Names & identifiers
- Preferred name
- Tert-butyl (5-ethynylthiazol-2-yl)carbamate
- IUPAC
- tert-butyl N-(5-ethynyl-1,3-thiazol-2-yl)carbamate
Names & synonyms
1056942-45-0tert-butyl (5-ethynylthiazol-2-yl)carbamatetert-butyl N-(5-ethynyl-1,3-thiazol-2-yl)carbamateSCHEMBL3018930CNTJFZSVGGRYNF-UHFFFAOYSA-Ntert-Butyl 5-ethynylthiazol-2-ylcarbamateEN300-7551085tert-butyl (5-ethynyl-1,3-thiazol-2-yl)carbamate(5-ethynyl-thiazol-2-yl)-carbamic acid tert-butyl ester
Database identifiers
- CAS
1056942-45-0- PubChem CID
- 57737416
- EC Number
- 186-131-5
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 290
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Related reactions
5 records
Compound notes
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