Basic information
- CAS
494769-34-5- Standard SMILES
CC(C)(C)OC(=O)Nc1nc(C=O)cs1- InChIKey
WJJQIZYBOFGKLA-UHFFFAOYSA-N- Molecular formula
- C9H12N2O3S
- Average molar mass
- 228.27 g/mol
- Monoisotopic mass
- 228.05686324
Names & identifiers
- Preferred name
- (4-Formylthiazol-2-yl)carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-(4-formyl-1,3-thiazol-2-yl)carbamate
- English name
- (4-Formylthiazol-2-yl)carbamic acid tert-butyl ester
- Molecular formula
- C9H12N2O3S
- Molecular weight
- 228.27
Names & synonyms
494769-34-5tert-butyl 4-formylthiazol-2-ylcarbamate(4-Formylthiazol-2-yl)carbamic acid tert-butyl estertert-butyl N-(4-formyl-1,3-thiazol-2-yl)carbamatetert-butyl (4-formylthiazol-2-yl)carbamateMFCD08275704tert-butyl N-(4-formylthiazol-2-yl)carbamate2-(Boc-amino)thiazole-4-carboxaldehyde(4-Formyl-thiazol-2-yl)-carbamic acid tert-butyl esterSCHEMBL1136868DTXSID70630939WJJQIZYBOFGKLA-UHFFFAOYSA-N
Show more names
N-Boc-2-amino-4-formylthiazole(4-FORMYLTHIAZOL-2-YL)CARBAMIC ACID TERT-BUTYL ESTER, 95+%Carbamic acid, N-(4-formyl-2-thiazolyl)-, 1,1-dimethylethyl ester
Carbamic acid, (4-formyl-2-thiazolyl)-, 1,1-dimethylethyl esterSBB097309AKOS015902109AB44803CS-W006822SY017860DB-001807EN300-316714
Database identifiers
- CAS
494769-34-5- PubChem CID
- 23138686
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Density
- 1.32 · 1.320±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 4.89 · 4.89±0.70(Predicted)
- Appearance
- White to yellow Solid
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers71 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Related reactions
4 records
Compound notes
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