| CAS Number | 89781-36-2 |
| Catalog Number | AG00VUSJ(AGN-PC-02SLOD) |
| Chemical Name | propane-2-sulfonyl isocyanate |
| IUPAC Name | N-(oxomethylidene)propane-2-sulfonamide |
| InChI | InChI=1S/C4H7NO3S/c1-4(2)9(7,8)5-3-6/h4H,1-2H3 |
| InChI Key | ZLPCARWBHSCIGF-UHFFFAOYSA-N |
| MDL Number | MFCD21879817 |
| Molecular Formula | C4H7NO3S |
| Molecular Weight | 149.1683 |
| SMILES | CC(S(N=C=O)(=O)=O)C |
| Synonyms | propane-2-sulfonyl isocyanate,
89781-36-2,
SCHEMBL11489374,
ZINC60073753,
AKOS022534948,
MCULE-9867968334,
NE27861,
NS-01137,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.164g/mol |
| Monoisotopic Mass | 149.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number