| CAS Number | 1334146-71-2 |
| Catalog Number | AG01AJL2(AGN-PC-0WO8Z3) |
| Chemical Name | 2-methyl-1lambda4-thiomorpholin-1-one |
| IUPAC Name | 2-methyl-1,4-thiazinane 1-oxide |
| InChI | InChI=1S/C5H11NOS/c1-5-4-6-2-3-8(5)7/h5-6H,2-4H2,1H3 |
| InChI Key | SYXJWCCFFUMDRG-UHFFFAOYSA-N |
| MDL Number | MFCD19982358 |
| Molecular Formula | C5H11NOS |
| Molecular Weight | 133.2119 |
| SMILES | CC1S(=O)CCNC1 |
| Synonyms | 2-Methyl-1lambda4-thiomorpholin-1-one,
1334146-71-2,
2-methyl-1$l^{4},4-thiomorpholin-1-one,
SCHEMBL10296505,
2-methyl-1-thiomorpholin-1-one,
2-methyl-1lambda-thiomorpholin-1-one,
2-methyl-1??,4-thiomorpholin-1-one,
AKOS013634525,
NE46513,
EN300-80999,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 133.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 133.209g/mol |
| Monoisotopic Mass | 133.056g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 48.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
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Certificate of Analysis
Lot Number