| CAS Number | 1161826-12-5 |
| Catalog Number | AG01BD5P |
| Chemical Name | Isocyanato(methanesulfonyl)methane |
| IUPAC Name | isocyanato(methylsulfonyl)methane |
| InChI | InChI=1S/C3H5NO3S/c1-8(6,7)3-4-2-5/h3H2,1H3 |
| InChI Key | KLBXRKHTNWQTNR-UHFFFAOYSA-N |
| MDL Number | MFCD19632225 |
| Molecular Formula | C3H5NO3S |
| Molecular Weight | 135.1417 |
| SMILES | CS(CN=C=O)(=O)=O |
| Synonyms | isocyanato(methanesulfonyl)methane,
1161826-12-5,
SCHEMBL891850,
isocyanato(methylsulfonyl)methane,
isocyanato-methanesulfonyl-methane,
KLBXRKHTNWQTNR-UHFFFAOYSA-N,
ZINC69714337,
AKOS013333908,
NE46877,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.137g/mol |
| Monoisotopic Mass | 134.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number