| CAS Number | 1258283-07-6 |
| Catalog Number | AG00HII9(AGN-PC-0WG3VU) |
| Chemical Name | 4-Methyl-3-(pyridin-2-ylsulfonyl)thiophene-2-carbaldehyde |
| IUPAC Name | 4-methyl-3-pyridin-2-ylsulfonylthiophene-2-carbaldehyde |
| InChI | InChI=1S/C11H9NO3S2/c1-8-7-16-9(6-13)11(8)17(14,15)10-4-2-3-5-12-10/h2-7H,1H3 |
| InChI Key | LPHPJJDCXVMFNI-UHFFFAOYSA-N |
| MDL Number | MFCD28991737 |
| Molecular Formula | C11H9NO3S2 |
| Molecular Weight | 267.3241 |
| SMILES | Cc1csc(C=O)c1S(=O)(=O)c1ccccn1 |
| Synonyms | 1258283-07-6,
4-Methyl-3-(pyridine-2-sulfonyl)-thiophene-2-carbaldehyde,
4-Methyl-3-(pyridin-2-ylsulfonyl)thiophene-2-carbaldehyde,
SCHEMBL3717602,
4-methyl-3-pyridin-2-ylsulfonylthiophene-2-carbaldehyde,
MFCD28991737,
ZINC168220053,
CS-0038847,
4-methyl-3-(pyridine-2-sulfonyl)thiophene-2-carbaldehyde,
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| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.317g/mol |
| Monoisotopic Mass | 267.002g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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