| CAS Number | 1221723-62-1 |
| Catalog Number | AG01A7VP |
| Chemical Name | ([3-Methoxy-4-(methylsulfanyl)phenyl]methyl)(methyl)amine |
| IUPAC Name | 1-(3-methoxy-4-methylsulfanylphenyl)-N-methylmethanamine |
| InChI | InChI=1S/C10H15NOS/c1-11-7-8-4-5-10(13-3)9(6-8)12-2/h4-6,11H,7H2,1-3H3 |
| InChI Key | QUDHHRXRBPGKEA-UHFFFAOYSA-N |
| MDL Number | MFCD14705843 |
| Molecular Formula | C10H15NOS |
| Molecular Weight | 197.2972 |
| SMILES | CNCC1=CC(OC)=C(SC)C=C1 |
| Synonyms | {[3-methoxy-4-(methylsulfanyl)phenyl]methyl}(methyl)amine,
1221723-62-1,
CTK6I5372,
AC1Q4154,
ZINC39947638,
AKOS008150961,
MCULE-2909272542,
NE15862,
EN300-59938,
([3-methoxy-4-(methylsulfanyl)phenyl]methyl)(methyl)amine,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.296g/mol |
| Monoisotopic Mass | 197.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number