| CAS Number | 1016740-19-4 |
| Catalog Number | AG019USF |
| Chemical Name | 3-Methoxypropanethioamide |
| IUPAC Name | 3-methoxypropanethioamide |
| InChI | InChI=1S/C4H9NOS/c1-6-3-2-4(5)7/h2-3H2,1H3,(H2,5,7) |
| InChI Key | AYGNZQROJVNACM-UHFFFAOYSA-N |
| MDL Number | MFCD09816360 |
| Molecular Formula | C4H9NOS |
| Molecular Weight | 119.1854 |
| SMILES | COCCC(N)=S |
| Synonyms | 3-methoxypropanethioamide,
1016740-19-4,
AC1Q4FMH,
CTK7B2865,
ZINC19398556,
AKOS000163542,
NE44114,
EN300-42680,
|
| Complexity | 64.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 119.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 119.182g/mol |
| Monoisotopic Mass | 119.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number