| CAS Number | 89124-76-5 |
| Catalog Number | AG00J2QY(AGN-PC-03XRKF) |
| Chemical Name | 3-thiomorpholinone 1,1-dioxide |
| IUPAC Name | 1,1-dioxo-1,4-thiazinan-3-one |
| InChI | InChI=1S/C4H7NO3S/c6-4-3-9(7,8)2-1-5-4/h1-3H2,(H,5,6) |
| InChI Key | JQLQRTIYJFIXIE-UHFFFAOYSA-N |
| MDL Number | MFCD02666346 |
| Molecular Formula | C4H7NO3S |
| Molecular Weight | 149.1683 |
| SMILES | O=S1(=O)CC(=O)NCC1 |
| Synonyms | 3-thiomorpholinone 1,1-dioxide,
89124-76-5,
Thiomorpholin-3-one 1,1-dioxide,
SCHEMBL88938,
ZINC5494891,
ZX-CM010460,
FCH956505,
MFCD02666346,
AKOS006355302,
MCULE-7263537050,
1,1-DIOXO-THIOMORPHOLIN-3-ONE,
W-9659,
1,1-Dioxo-1lambda*6*-thiomorpholin-3-one,
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| Complexity | 213 |
| 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 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.164g/mol |
| Monoisotopic Mass | 149.015g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number