| CAS Number | 174827-44-2 |
| Catalog Number | AG01AHDN |
| Chemical Name | 2-(Benzyloxy)ethanethioamide |
| IUPAC Name | 2-phenylmethoxyethanethioamide |
| InChI | InChI=1S/C9H11NOS/c10-9(12)7-11-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,12) |
| InChI Key | LROCVRUZMNKOTO-UHFFFAOYSA-N |
| MDL Number | MFCD09946826 |
| Molecular Formula | C9H11NOS |
| Molecular Weight | 181.2547 |
| SMILES | NC(COCC1=CC=CC=C1)=S |
| Synonyms | 2-(benzyloxy)ethanethioamide,
174827-44-2,
2-Benzyloxy-thioacetamide,
SCHEMBL204703,
LROCVRUZMNKOTO-UHFFFAOYSA-N,
ZINC19510009,
AKOS000194249,
NE33706,
EN300-74391,
|
| 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 | 4 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number