| CAS Number | 953892-11-0 |
| Catalog Number | AG00IJ0P(AGN-PC-0WRADH) |
| Chemical Name | 2-Amino-4-(pyridin-3-yl)thiophene-3-carbonitrile |
| IUPAC Name | 2-amino-4-pyridin-3-ylthiophene-3-carbonitrile |
| InChI | InChI=1S/C10H7N3S/c11-4-8-9(6-14-10(8)12)7-2-1-3-13-5-7/h1-3,5-6H,12H2 |
| InChI Key | CQFIZCKVLGNSNZ-UHFFFAOYSA-N |
| MDL Number | MFCD09727684 |
| Molecular Formula | C10H7N3S |
| Molecular Weight | 201.2477 |
| SMILES | N#Cc1c(N)scc1c1cccnc1 |
| Synonyms | 2-Amino-4-(pyridin-3-yl)thiophene-3-carbonitrile,
953892-11-0,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.247g/mol |
| Monoisotopic Mass | 201.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 90.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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