| CAS Number | 34257-57-3 |
| Catalog Number | AG01EVLT(AGN-PC-0NIQGA) |
| Chemical Name | 2-(Isopropylthio)-1-methoxybenzene |
| IUPAC Name | 1-methoxy-2-propan-2-ylsulfanylbenzene |
| InChI | InChI=1S/C10H14OS/c1-8(2)12-10-7-5-4-6-9(10)11-3/h4-8H,1-3H3 |
| InChI Key | HMEXWXWOVBCHJI-UHFFFAOYSA-N |
| MDL Number | MFCD26142712 |
| Molecular Formula | C10H14OS |
| Molecular Weight | 182.2826 |
| SMILES | C1(OC)C=CC=CC=1SC(C)C |
| Synonyms | 2-(Isopropylthio)-1-methoxybenzene,
34257-57-3,
SCHEMBL5962399,
ZINC96024701,
1-methoxy-2-(propan-2-ylsulfanyl)benzene,
|
| Complexity | 125 |
| 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 | 3 |
| Topological Polar Surface Area | 34.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number