| CAS Number | 2168-84-5 |
| Catalog Number | AG00BV44(AGN-PC-0QY9LP) |
| Chemical Name | 1-(Methylsulfanyl)ethane-1-thione |
| IUPAC Name | methyl ethanedithioate |
| InChI | InChI=1S/C3H6S2/c1-3(4)5-2/h1-2H3 |
| InChI Key | PFWSEYMNCOMKDX-UHFFFAOYSA-N |
| MDL Number | MFCD22573607 |
| Molecular Formula | C3H6S2 |
| Molecular Weight | 106.2097 |
| SMILES | CSC(C)=S |
| Synonyms | methyldithioacetate,
Methyl dithioacetate,
methyl ethanedithioate,
1-(methylsulfanyl)ethane-1-thione,
2168-84-5,
Ethane(dithioic) acid, methyl ester,
Methyldithioacetate,
methyl ethane(dithioate),
CH3CSSCH3,
AC1L3VYI,
SCHEMBL268252,
CTK8H6177,
PFWSEYMNCOMKDX-UHFFFAOYSA-N,
ZINC5167654,
Ethane (dithioic) acid, methyl ester,
InChI=1/C3H6S2/c1-3(4)5-2/h1-2H,
CID123149,
|
| Complexity | 40.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 105.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 5 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 106.201g/mol |
| Monoisotopic Mass | 105.991g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number