| CAS Number | 862248-42-8 |
| Catalog Number | AG019XGQ(AGN-PC-004CM6) |
| Chemical Name | N-(4-hydroxyphenyl)-2-(methylsulfanyl)acetamide |
| IUPAC Name | N-(4-hydroxyphenyl)-2-methylsulfanylacetamide |
| InChI | InChI=1S/C9H11NO2S/c1-13-6-9(12)10-7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3,(H,10,12) |
| InChI Key | SEVNIYSZEGCSPN-UHFFFAOYSA-N |
| MDL Number | MFCD11170539 |
| Molecular Formula | C9H11NO2S |
| Molecular Weight | 197.2541 |
| SMILES | CSCC(NC1=CC=C(O)C=C1)=O |
| Synonyms | N-(4-hydroxyphenyl)-2-(methylsulfanyl)acetamide,
862248-42-8,
AC1Q4H9N,
SCHEMBL3021287,
CTK7B5582,
ZINC13983147,
AKOS008113609,
MCULE-1827468715,
NE38804,
EN300-54951,
CID11206397,
N-(4-hydroxyphenyl)-2-methylsulfanyl-acetamide,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.252g/mol |
| Monoisotopic Mass | 197.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number