| CAS Number | 1432681-58-7 |
| Catalog Number | AG01A51J |
| Chemical Name | methyl 5-(benzylsulfanyl)thiophene-2-carboxylate |
| IUPAC Name | methyl 5-benzylsulfanylthiophene-2-carboxylate |
| InChI | InChI=1S/C13H12O2S2/c1-15-13(14)11-7-8-12(17-11)16-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3 |
| InChI Key | SWNLXZYFEGPGEN-UHFFFAOYSA-N |
| MDL Number | MFCD24369204 |
| Molecular Formula | C13H12O2S2 |
| Molecular Weight | 264.3632 |
| SMILES | COC(C1SC(SCC2=CC=CC=C2)=CC=1)=O |
| Synonyms | methyl 5-(benzylsulfanyl)thiophene-2-carboxylate,
1432681-58-7,
ZINC95218367,
NE62249,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.357g/mol |
| Monoisotopic Mass | 264.028g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number