| CAS Number | 86705-34-2 |
| Catalog Number | AG01ACM4 |
| Chemical Name | 4-(2-methoxyethoxy)benzene-1-thiol |
| IUPAC Name | 4-(2-methoxyethoxy)benzenethiol |
| InChI | InChI=1S/C9H12O2S/c1-10-6-7-11-8-2-4-9(12)5-3-8/h2-5,12H,6-7H2,1H3 |
| InChI Key | JFEPIPILNMOARY-UHFFFAOYSA-N |
| MDL Number | MFCD26408033 |
| Molecular Formula | C9H12O2S |
| Molecular Weight | 184.2554 |
| SMILES | COCCOC1=CC=C(S)C=C1 |
| Synonyms | 4-(2-methoxyethoxy)benzene-1-thiol,
86705-34-2,
SCHEMBL5311543,
ZINC77271059,
AKOS023254246,
MCULE-2804548936,
Z1718614177,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.253g/mol |
| Monoisotopic Mass | 184.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 19.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number