| CAS Number | 62291-63-8 |
| Catalog Number | AG01EWOF(AGN-PC-0NIJHP) |
| Chemical Name | 1-Methoxy-4-(propylthio)-benzene |
| IUPAC Name | 1-methoxy-4-propylsulfanylbenzene |
| InChI | InChI=1S/C10H14OS/c1-3-8-12-10-6-4-9(11-2)5-7-10/h4-7H,3,8H2,1-2H3 |
| InChI Key | LGERTTXLZNHNAI-UHFFFAOYSA-N |
| MDL Number | MFCD26958718 |
| Molecular Formula | C10H14OS |
| Molecular Weight | 182.2826 |
| SMILES | C1(OC)C=CC(SCCC)=CC=1 |
| Synonyms | 1-Methoxy-4-(propylthio)-benzene,
62291-63-8,
1-Methoxy-4-(propylsulfanyl)benzene,
4-Methoxyphenylpropyl sulfide,
SCHEMBL6123648,
CTK2C2938,
DTXSID10488613,
ZINC39207066,
Benzene, 1-methoxy-4-(propylthio)-,
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| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.281g/mol |
| Monoisotopic Mass | 182.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 34.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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