| CAS Number | 100114-63-4 |
| Catalog Number | AG000104(AGN-PC-0WNRO0) |
| Chemical Name | 2-Thiazolecarboxylic acid, 5-amino-, ethyl ester |
| IUPAC Name | ethyl 5-amino-1,3-thiazole-2-carboxylate |
| InChI | InChI=1S/C6H8N2O2S/c1-2-10-6(9)5-8-3-4(7)11-5/h3H,2,7H2,1H3 |
| InChI Key | IZCSREAMZDZVFW-UHFFFAOYSA-N |
| MDL Number | MFCD20697238 |
| Molecular Formula | C6H8N2O2S |
| Molecular Weight | 172.2049 |
| SMILES | O=C(C1=NC=C(N)S1)OCC |
| Synonyms | Ethyl 5-aminothiazole-2-carboxylate,
100114-63-4,
ethyl 5-amino-1,3-thiazole-2-carboxylate,
2-Thiazolecarboxylic acid, 5-amino-, ethyl ester,
SCHEMBL5879520,
MFCD20697238,
ZINC78876442,
AKOS022186918,
MCULE-4483629905,
BS-13559,
AJ-122792,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.202g/mol |
| Monoisotopic Mass | 172.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H319
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Packing Group
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Precautionary statements
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P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number