| CAS Number | 174359-80-9 |
| Catalog Number | AG00HZMX(AGN-PC-041CHZ) |
| Chemical Name | N-Propylthiophene-3-carboxamide |
| IUPAC Name | N-propylthiophene-3-carboxamide |
| InChI | InChI=1S/C8H11NOS/c1-2-4-9-8(10)7-3-5-11-6-7/h3,5-6H,2,4H2,1H3,(H,9,10) |
| InChI Key | YHBMQZZMGAMNIU-UHFFFAOYSA-N |
| MDL Number | MFCD19595846 |
| Molecular Formula | C8H11NOS |
| Molecular Weight | 169.2440 |
| SMILES | CCCNC(=O)c1cscc1 |
| Synonyms | N-Propylthiophene-3-carboxamide,
174359-80-9,
SCHEMBL3641810,
N-Propyl-3-thiophenecarboxamide,
3-Thiophenecarboxamide, N-propyl-,
ZINC59697333,
AKOS008982546,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.242g/mol |
| Monoisotopic Mass | 169.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.3A^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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