| CAS Number | 1195587-35-9 |
| Catalog Number | AG01DYH0(AGN-PC-3H45DL) |
| Chemical Name | Quinoline-3-carbothioamide |
| IUPAC Name | quinoline-3-carbothioamide |
| InChI | InChI=1S/C10H8N2S/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-6H,(H2,11,13) |
| InChI Key | IDAXSPIOGDQKHO-UHFFFAOYSA-N |
| MDL Number | MFCD20703512 |
| Molecular Formula | C10H8N2S |
| Molecular Weight | 188.2489 |
| SMILES | N1=CC(=CC2=CC=CC=C12)C(N)=S |
| Synonyms | QUINOLINE-3-CARBOTHIOAMIDE,
1195587-35-9,
3-Quinolinecarbothioamide,
3-thiocarbamoylquinoline,
SCHEMBL5166779,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.248g/mol |
| Monoisotopic Mass | 188.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number