| CAS Number | 998-79-8 |
| Catalog Number | AG01DWY3(AGN-PC-0W9XA5) |
| Chemical Name | 1-(ethylsulfanyl)propane-1-thione |
| IUPAC Name | ethyl propanedithioate |
| InChI | InChI=1S/C5H10S2/c1-3-5(6)7-4-2/h3-4H2,1-2H3 |
| InChI Key | WHQPNJDXIICPAH-UHFFFAOYSA-N |
| MDL Number | MFCD16038346 |
| Molecular Formula | C5H10S2 |
| Molecular Weight | 134.2629 |
| SMILES | CCSC(CC)=S |
| Synonyms | Ethyl propanedithioate,
1-(ETHYLSULFANYL)PROPANE-1-THIONE,
998-79-8,
ethyl ester of propanedithioic acid,
Ethyl propanedithioate #,
AC1LB7UZ,
CTK6G4795,
WHQPNJDXIICPAH-UHFFFAOYSA-N,
Propane(dithioic) acid, ethyl ester,
CID552972,
|
| Complexity | 59.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 134.255g/mol |
| Monoisotopic Mass | 134.022g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number