| CAS Number | 7205-58-5 |
| Catalog Number | AG01EX3B(AGN-PC-0CFKEU) |
| Chemical Name | Ethyl 4-methoxyphenyl sulfide |
| IUPAC Name | 1-ethylsulfanyl-4-methoxybenzene |
| InChI | InChI=1S/C9H12OS/c1-3-11-9-6-4-8(10-2)5-7-9/h4-7H,3H2,1-2H3 |
| InChI Key | JOTUDFBFCFFMNN-UHFFFAOYSA-N |
| MDL Number | MFCD11617692 |
| Molecular Formula | C9H12OS |
| Molecular Weight | 168.2560 |
| SMILES | CCSc1ccc(cc1)OC |
| Synonyms | 4-(Ethylthio)-1-methoxybenzene,
JOTUDFBFCFFMNN-UHFFFAOYSA-N,
1-(Ethylsulfanyl)-4-methoxybenzene,
7205-58-5,
ethyl(4-methoxyphenyl)sulfane,
p-(Ethylthio)anisole,
4-(Ethylthio)anisole,
p-Anisyl ethyl sulfide,
p-methoxyethylthiobenzene,
AC1NT4R2,
Ethyl 4-methoxyphenyl sulfide,
SCHEMBL1323789,
1-ethylsulfanyl-4-methoxybenzene,
DTXSID30415880,
ZINC33835178,
AKOS006240980,
InChI=1/C9H12OS/c1-3-11-9-6-4-8(10-2)5-7-9/h4-7H,3H2,1-2H,
1-ethylsulfanyl-4-methoxy-benzene,
CID5324155,
|
| Complexity | 97.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.254g/mol |
| Monoisotopic Mass | 168.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number