| CAS Number | 25059-70-5 |
| Catalog Number | AG00BJ6W(AGN-PC-0NCP2N) |
| Chemical Name | (2-Chloroethyl)dimethylsulfonium iodide |
| IUPAC Name | 2-chloroethyl(dimethyl)sulfanium;iodide |
| InChI | InChI=1S/C4H10ClS.HI/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H/q+1;/p-1 |
| InChI Key | JOCCCKOFQRTOIM-UHFFFAOYSA-M |
| MDL Number | MFCD00012235 |
| Molecular Formula | C4H10ClIS |
| Molecular Weight | 252.5447 |
| SMILES | C[S+](C)CCCl.[I-] |
| Synonyms | 25059-70-5,
(2-Chloroethyl)dimethylsulfanium iodide,
(2-Chloroethyl)dimethylsulfonium iodide,
SCHEMBL403410,
JOCCCKOFQRTOIM-UHFFFAOYSA-M,
MFCD00012235,
2-chloroethyldimethyl sulfonium iodide,
2-chloroethyl-dimethylsulphonium iodide,
(2-chloroethyl)-dimethylsulfonium iodide,
AS-40716,
(2-chloro-ethyl)-dimethyl-sulfonium iodide,
Sulfonium, (2-chloroethyl)dimethyl-, iodide,
2-chloroethyl-dimethyl-sulfanium Iodide,
CID10912030,
Sulfonium,(2-chloroethyl)dimethyl-,iodide,
|
| Complexity | 28.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.538g/mol |
| Monoisotopic Mass | 251.924g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number