| CAS Number | 89502-06-7 |
| Catalog Number | AG0087NU(AGN-PC-003NLT) |
| Chemical Name | Methyl 5-(benzylsulfanyl)-1,3-thiazole-4-carboxylate |
| IUPAC Name | methyl 5-benzylsulfanyl-1,3-thiazole-4-carboxylate |
| InChI | InChI=1S/C12H11NO2S2/c1-15-11(14)10-12(17-8-13-10)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3 |
| InChI Key | GEQICVJLPWBEJG-UHFFFAOYSA-N |
| MDL Number | MFCD20133444 |
| Molecular Formula | C12H11NO2S2 |
| Molecular Weight | 265.3512 |
| SMILES | COC(C1=C(SCC2=CC=CC=C2)SC=N1)=O |
| Synonyms | 89502-06-7,
methyl 5-(benzylsulfanyl)-1,3-thiazole-4-carboxylate,
4-Thiazolecarboxylic acid, 5-[(phenylmethyl)thio]-, methyl ester,
Methyl 5-(benzylthio)thiazole-4-carboxylate,
ACMC-20lmu0,
SCHEMBL9368410,
CTK2J4998,
DTXSID80567888,
GEQICVJLPWBEJG-UHFFFAOYSA-N,
ZINC34462368,
NE62703,
methyl 5-(phenylmethylthio)-4-thiazolecarboxylate,
methyl 5-benzylsulfanyl-1,3-thiazole-4-carboxylate,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.345g/mol |
| Monoisotopic Mass | 265.023g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 92.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number