| CAS Number | 160901-56-4 |
| Catalog Number | AG019YZS(AGN-PC-00OTXL) |
| Chemical Name | methyl 2-[(2-hydroxyphenyl)sulfanyl]acetate |
| IUPAC Name | methyl 2-(2-hydroxyphenyl)sulfanylacetate |
| InChI | InChI=1S/C9H10O3S/c1-12-9(11)6-13-8-5-3-2-4-7(8)10/h2-5,10H,6H2,1H3 |
| InChI Key | JCNJIKJUZSGYTH-UHFFFAOYSA-N |
| MDL Number | MFCD16159945 |
| Molecular Formula | C9H10O3S |
| Molecular Weight | 198.2389 |
| SMILES | COC(CSC1=C(O)C=CC=C1)=O |
| Synonyms | methyl 2-[(2-hydroxyphenyl)sulfanyl]acetate,
160901-56-4,
SCHEMBL8144828,
ZINC34528005,
AKOS011301990,
MCULE-1658715632,
NE15958,
(2-Hydroxyphenylthio)acetic acid methyl ester,
Z991575870,
methyl 2-((2-hydroxyphenyl)thio)acetate,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.236g/mol |
| Monoisotopic Mass | 198.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number