| CAS Number | 219715-29-4 |
| Catalog Number | AG01EUJC(AGN-PC-00B8WO) |
| Chemical Name | 2-Methoxyphenyl benzyl sulfide |
| IUPAC Name | 1-benzylsulfanyl-2-methoxybenzene |
| InChI | InChI=1S/C14H14OS/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3 |
| InChI Key | TZFDIWVKNFJGDH-UHFFFAOYSA-N |
| MDL Number | MFCD26792641 |
| Molecular Formula | C14H14OS |
| Molecular Weight | 230.3254 |
| SMILES | S(C1C=CC=CC=1OC)CC1C=CC=CC=1 |
| Synonyms | 2-Methoxyphenyl benzyl sulfide,
219715-29-4,
1-Methoxy-2-[(phenylmethyl)thio]benzene,
2-(Benzylthio)anisole,
2-Methoxyphenylbenzyl sulfide,
SCHEMBL3888294,
TZFDIWVKNFJGDH-UHFFFAOYSA-N,
ZINC34633045,
AKOS026672065,
1-benzylsulfanyl-2-methoxy-benzene,
CID11543171,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.325g/mol |
| Monoisotopic Mass | 230.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 34.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number