| CAS Number | 18732-32-6 |
| Catalog Number | AG01C21Z |
| Chemical Name | N-methyl-2-(phenylsulfanyl)acetamide |
| IUPAC Name | N-methyl-2-phenylsulfanylacetamide |
| InChI | InChI=1S/C9H11NOS/c1-10-9(11)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11) |
| InChI Key | LYMABPNSLUJBOK-UHFFFAOYSA-N |
| MDL Number | MFCD03576483 |
| Molecular Formula | C9H11NOS |
| Molecular Weight | 181.2547 |
| SMILES | CNC(CSC1=CC=CC=C1)=O |
| Synonyms | N-methyl-2-(phenylsulfanyl)acetamide,
18732-32-6,
AC1LIZQW,
SCHEMBL11468216,
N-methyl-2-phenylsulfanylacetamide,
ZINC577920,
AKOS005234175,
MCULE-6387669190,
N-methyl-2-phenylsulfanyl-acetamide,
CID965608,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.253g/mol |
| Monoisotopic Mass | 181.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number