| CAS Number | 58729-32-1 |
| Catalog Number | AG01A3KT(AGN-PC-00NGD9) |
| Chemical Name | (thiomorpholin-3-yl)methanol |
| IUPAC Name | thiomorpholin-3-ylmethanol |
| InChI | InChI=1S/C5H11NOS/c7-3-5-4-8-2-1-6-5/h5-7H,1-4H2 |
| InChI Key | MXFNPNPWOIRFCE-UHFFFAOYSA-N |
| MDL Number | MFCD02666403 |
| Molecular Formula | C5H11NOS |
| Molecular Weight | 133.2119 |
| SMILES | OCC1NCCSC1 |
| Synonyms | thiomorpholin-3-ylmethanol,
58729-32-1,
(Thiomorpholin-3-yl)methanol,
3-Thiomorpholinemethanol,
3-hydroxymethyltetrahydro-4H-1,4-thiazine,
SCHEMBL1693148,
CTK1E9041,
DTXSID70545332,
AKOS006353379,
MCULE-9615907863,
NE26548,
Z1569709063,
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| Complexity | 69.4 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 133.209g/mol |
| Monoisotopic Mass | 133.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number