| CAS Number | 1408075-35-3 |
| Catalog Number | AG001CTZ(AGN-PC-0WCKYG) |
| Chemical Name | 5-Thiazolecarboxylic acid, 2-formyl-, methyl ester |
| IUPAC Name | methyl 2-formyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C6H5NO3S/c1-10-6(9)4-2-7-5(3-8)11-4/h2-3H,1H3 |
| InChI Key | ITBUZSKNECHXNJ-UHFFFAOYSA-N |
| MDL Number | MFCD22414490 |
| Molecular Formula | C6H5NO3S |
| Molecular Weight | 171.1738 |
| SMILES | COC(=O)C1=CN=C(S1)C=O |
| Synonyms | 1408075-35-3,
METHYL 2-FORMYLTHIAZOLE-5-CARBOXYLATE,
METHYL 2-FORMYL-1,3-THIAZOLE-5-CARBOXYLATE,
5-Thiazolecarboxylic acid, 2-formyl-, methyl ester,
SCHEMBL16742919,
ITBUZSKNECHXNJ-UHFFFAOYSA-N,
KS-000007LK,
MFCD22414490,
ZINC95743176,
Methyl 2-form ylthiazole-5-carboxylate,
PB36994,
SB20843,
AS-51642,
CS-0049162,
Q-3339,
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| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.17g/mol |
| Monoisotopic Mass | 170.999g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number