| CAS Number | 157506-52-0 |
| Catalog Number | AG01B22Y |
| Chemical Name | 1-methoxy-2-(prop-2-yn-1-ylsulfanyl)benzene |
| IUPAC Name | 1-methoxy-2-prop-2-ynylsulfanylbenzene |
| InChI | InChI=1S/C10H10OS/c1-3-8-12-10-7-5-4-6-9(10)11-2/h1,4-7H,8H2,2H3 |
| InChI Key | FVBVGJBSHJIUQJ-UHFFFAOYSA-N |
| MDL Number | MFCD14638477 |
| Molecular Formula | C10H10OS |
| Molecular Weight | 178.2508 |
| SMILES | COC1=C(SCC#C)C=CC=C1 |
| Synonyms | 1-methoxy-2-(prop-2-yn-1-ylsulfanyl)benzene,
157506-52-0,
ZINC42012062,
AKOS010598678,
FCH5082770,
BBV-32763696,
EN300-267563,
Z2041930021,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.249g/mol |
| Monoisotopic Mass | 178.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number