| CAS Number | 133217-42-2 |
| Catalog Number | AG01BAHF(AGN-PC-0092UE) |
| Chemical Name | (ethylsulfanyl)(iodomethoxy)methanone |
| IUPAC Name | iodomethyl ethylsulfanylformate |
| InChI | InChI=1S/C4H7IO2S/c1-2-8-4(6)7-3-5/h2-3H2,1H3 |
| InChI Key | LXZAPTGWIXFPEX-UHFFFAOYSA-N |
| MDL Number | MFCD27943695 |
| Molecular Formula | C4H7IO2S |
| Molecular Weight | 246.0667 |
| SMILES | CCSC(OCI)=O |
| Synonyms | S-Ethyl O-(iodomethyl) carbonothioate,
133217-42-2,
Carbonothioic acid, S-ethyl O-(iodomethyl) ester,
SCHEMBL1507150,
LXZAPTGWIXFPEX-UHFFFAOYSA-N,
S-ethyl O-iodomethyl carbonothioate,
O-Iodomethyl S-ethyl carbonothioate,
ZINC116385404,
Iodomethyl Ethylsulfanylformate,
CID11436522,
|
| Complexity | 76.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.921g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.062g/mol |
| Monoisotopic Mass | 245.921g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number