| CAS Number | 13379-85-6 |
| Catalog Number | AG01C2O6 |
| Chemical Name | 2-{[2-(Methylsulfanyl)phenoxy]methyl}oxirane |
| IUPAC Name | 2-[(2-methylsulfanylphenoxy)methyl]oxirane |
| InChI | InChI=1S/C10H12O2S/c1-13-10-5-3-2-4-9(10)12-7-8-6-11-8/h2-5,8H,6-7H2,1H3 |
| InChI Key | BVPTWWOAYRPTPY-UHFFFAOYSA-N |
| MDL Number | MFCD18854652 |
| Molecular Formula | C10H12O2S |
| Molecular Weight | 196.2661 |
| SMILES | CSC1=C(OCC2OC2)C=CC=C1 |
| Synonyms | 2-{[2-(methylsulfanyl)phenoxy]methyl}oxirane,
13379-85-6,
1,2-Epoxy-3-(2-methylthiophenoxy)-propan,
SCHEMBL8719790,
AKOS012958301,
2-[2-(methylsulfanyl)phenoxymethyl]oxirane,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.264g/mol |
| Monoisotopic Mass | 196.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number