| CAS Number | 110994-31-5 |
| Catalog Number | AG01AIV6(AGN-PC-00NXWI) |
| Chemical Name | 1,5-dimethyl-2,3-dihydro-1H-indole-2-thione |
| IUPAC Name | 1,5-dimethyl-3H-indole-2-thione |
| InChI | InChI=1S/C10H11NS/c1-7-3-4-9-8(5-7)6-10(12)11(9)2/h3-5H,6H2,1-2H3 |
| InChI Key | WSFKMMIGMRNGOX-UHFFFAOYSA-N |
| MDL Number | MFCD19381938 |
| Molecular Formula | C10H11NS |
| Molecular Weight | 177.2660 |
| SMILES | CN1C2=C(C=C(C=C2)C)CC1=S |
| Synonyms | 1,5-dimethyl-2,3-dihydro-1H-indole-2-thione,
110994-31-5,
2H-Indole-2-thione, 1,3-dihydro-1,5-dimethyl-,
SCHEMBL8999017,
ZINC34153389,
EN300-79103,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.265g/mol |
| Monoisotopic Mass | 177.061g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 35.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number