| CAS Number | 67808-33-7 |
| Catalog Number | AG00IBRA(AGN-PC-0WON1J) |
| Chemical Name | Methyl 4-cyanothiophene-2-carboxylate |
| IUPAC Name | methyl 4-cyanothiophene-2-carboxylate |
| InChI | InChI=1S/C7H5NO2S/c1-10-7(9)6-2-5(3-8)4-11-6/h2,4H,1H3 |
| InChI Key | TYOWYTNOORXRSB-UHFFFAOYSA-N |
| MDL Number | MFCD05664843 |
| Molecular Formula | C7H5NO2S |
| Molecular Weight | 167.1851 |
| SMILES | COC(=O)c1cc(cs1)C#N |
| Synonyms | methyl 4-cyanothiophene-2-carboxylate,
67808-33-7,
SCHEMBL6925662,
CTK6I9319,
TYOWYTNOORXRSB-UHFFFAOYSA-N,
ZINC2548673,
SBB088087,
AKOS006292712,
FT-0738701,
W-4106,
118664-99-6,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.182g/mol |
| Monoisotopic Mass | 167.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number