| CAS Number | 125066-69-5 |
| Catalog Number | AG01A899(AGN-PC-003F4K) |
| Chemical Name | 6-(Methylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-one |
| IUPAC Name | 6-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one |
| InChI | InChI=1S/C11H12OS/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-7H,2-4H2,1H3 |
| InChI Key | XPSKUTFYLZCTCZ-UHFFFAOYSA-N |
| MDL Number | MFCD15209669 |
| Molecular Formula | C11H12OS |
| Molecular Weight | 192.2774 |
| SMILES | CSC1=CC2=C(C(CCC2)=O)C=C1 |
| Synonyms | 6-(methylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-one,
125066-69-5,
AC1Q4H2S,
SCHEMBL9024120,
CTK7B5063,
ZINC34438543,
AKOS026727986,
MCULE-8947877158,
NE23293,
EN300-61069,
6-methylthio-1-tetralone,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.276g/mol |
| Monoisotopic Mass | 192.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number