| CAS Number | 531549-10-7 |
| Catalog Number | AG00I9HO(AGN-PC-0WP1TK) |
| Chemical Name | N-Isopropylthiophene-3-carboxamide |
| IUPAC Name | N-propan-2-ylthiophene-3-carboxamide |
| InChI | InChI=1S/C8H11NOS/c1-6(2)9-8(10)7-3-4-11-5-7/h3-6H,1-2H3,(H,9,10) |
| InChI Key | RTUCYMPHAVKSJK-UHFFFAOYSA-N |
| MDL Number | MFCD10672923 |
| Molecular Formula | C8H11NOS |
| Molecular Weight | 169.2440 |
| SMILES | CC(NC(=O)c1cscc1)C |
| Synonyms | N-Isopropylthiophene-3-carboxamide,
531549-10-7,
SCHEMBL8150133,
ZINC12981281,
AKOS008981751,
MCULE-4483222488,
F6541-3209,
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| Complexity | 147 |
| 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 | 2 |
| Topological Polar Surface Area | 57.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number