| CAS Number | 26905-24-8 |
| Catalog Number | AG01FF3M(AGN-PC-0NCHVA) |
| Chemical Name | Benzyl 4-methoxyphenyl sulfide |
| IUPAC Name | 1-benzylsulfanyl-4-methoxybenzene |
| InChI | InChI=1S/C14H14OS/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3 |
| InChI Key | GGUMXGHTTKUDNB-UHFFFAOYSA-N |
| MDL Number | MFCD26958711 |
| Molecular Formula | C14H14OS |
| Molecular Weight | 230.3254 |
| SMILES | COc1ccc(cc1)SCc1ccccc1 |
| Synonyms | Benzyl 4-methoxyphenyl sulfide,
26905-24-8,
4-benzylsulfanylanisole,
4-Methoxyphenyl benzyl sulfide,
SCHEMBL2433694,
CTK0J2968,
1-benzylsulfanyl-4-methoxybenzene,
DTXSID10447720,
GGUMXGHTTKUDNB-UHFFFAOYSA-N,
1-(benzylsulfanyl)-4-methoxybenzene,
ZINC96024775,
AKOS017094763,
FS-5470,
Benzene, 1-methoxy-4-[(phenylmethyl)thio]-,
1-benzylsulfanyl-4-methoxy-benzene,
CID10900447,
|
| Complexity | 181 |
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number