| CAS Number | 64215-48-1 |
| Catalog Number | AG019JLO(AGN-PC-0KTTDV) |
| Chemical Name | 4,7-dimethylquinoline-2-thiol |
| IUPAC Name | 4,7-dimethyl-1H-quinoline-2-thione |
| InChI | InChI=1S/C11H11NS/c1-7-3-4-9-8(2)6-11(13)12-10(9)5-7/h3-6H,1-2H3,(H,12,13) |
| InChI Key | VBWHJNKSSZEICG-UHFFFAOYSA-N |
| MDL Number | MFCD06254384 |
| Molecular Formula | C11H11NS |
| Molecular Weight | 189.2767 |
| SMILES | CC1=CC2=C(C(=CC(=N2)S)C)C=C1 |
| Synonyms | 4,7-dimethylquinoline-2-thiol,
64215-48-1,
4,7-dimethyl-1H-quinoline-2-thione,
AC1MP1FE,
AC1Q2N2S,
MLS000771921,
SCHEMBL3067442,
CHEMBL1556798,
CTK6C0467,
HMS2700E20,
ZINC13146624,
AKOS000117526,
MCULE-3779163711,
NE33111,
NCGC00325470-01,
SMR000376501,
EN300-09765,
AB00601611-05,
CID3404081,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.276g/mol |
| Monoisotopic Mass | 189.061g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number