| CAS Number | 1181456-13-2 |
| Catalog Number | AG0099K5(AGN-PC-0NT1HA) |
| Chemical Name | 4-ethyl-1,3-thiazole-2-carboxylic acid |
| IUPAC Name | 4-ethyl-1,3-thiazole-2-carboxylic acid |
| InChI | InChI=1S/C6H7NO2S/c1-2-4-3-10-5(7-4)6(8)9/h3H,2H2,1H3,(H,8,9) |
| InChI Key | GHICAGCEAUSFFV-UHFFFAOYSA-N |
| MDL Number | MFCD11934400 |
| Molecular Formula | C6H7NO2S |
| Molecular Weight | 157.1903 |
| SMILES | S1(C(=NC(=C1)CC)C(=O)O) |
| Synonyms | 4-Ethylthiazole-2-carboxylic acid,
1181456-13-2,
4-ethyl-1,3-thiazole-2-carboxylic acid,
4-ETHYL-THIAZOLE-2-CARBOXYLIC ACID,
SCHEMBL1244982,
KS-00000SGP,
GHICAGCEAUSFFV-UHFFFAOYSA-N,
0041AD,
2-Thiazolecarboxylic acid, 4-ethyl-,
MFCD11934400,
ZINC32005795,
AKOS016028493,
CH-0713,
CS-W020206,
MCULE-9712986594,
AJ-84520,
AK158458,
Z-6521,
C6H7NO2S,
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.187g/mol |
| Monoisotopic Mass | 157.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number