| CAS Number | 1086228-14-9 |
| Catalog Number | AG01AAYH(AGN-PC-0WOA9B) |
| Chemical Name | 1-Isothiocyanato-2-methanesulfonylethane |
| IUPAC Name | 1-isothiocyanato-2-methylsulfonylethane |
| InChI | InChI=1S/C4H7NO2S2/c1-9(6,7)3-2-5-4-8/h2-3H2,1H3 |
| InChI Key | PXVHQFMYBFOZMY-UHFFFAOYSA-N |
| MDL Number | MFCD12806742 |
| Molecular Formula | C4H7NO2S2 |
| Molecular Weight | 165.2339 |
| SMILES | CS(CCN=C=S)(=O)=O |
| Synonyms | 1-isothiocyanato-2-methanesulfonylethane,
1086228-14-9,
AC1Q4GMU,
SCHEMBL18225463,
ZINC37750701,
AKOS010142272,
NE62238,
1-isothiocyanato-2-(methylsulfonyl)ethane,
EN300-69917,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.225g/mol |
| Monoisotopic Mass | 164.992g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number