| CAS Number | 152009-44-4 |
| Catalog Number | AG003QH1(AGN-PC-0A5BZU) |
| Chemical Name | Ethyl Thiomorpholine-2-carboxylate |
| IUPAC Name | ethyl thiomorpholine-2-carboxylate |
| InChI | InChI=1S/C7H13NO2S/c1-2-10-7(9)6-5-8-3-4-11-6/h6,8H,2-5H2,1H3 |
| InChI Key | VJRQGYGWAYZJHI-UHFFFAOYSA-N |
| MDL Number | MFCD20134212 |
| Molecular Formula | C7H13NO2S |
| Molecular Weight | 175.2486 |
| SMILES | O=C(C1CNCCS1)OCC |
| Synonyms | Ethyl Thiomorpholine-2-carboxylate,
152009-44-4,
2-Thiomorpholinecarboxylic acid ethyl ester,
SCHEMBL5192466,
CTK8E1854,
EthylThiomorpholine-2-carboxylate,
KS-00000AJC,
6815AJ,
MFCD20134212,
AKOS022184157,
TRA0072307,
AS-32572,
SY016104,
DB-023915,
TC-308330,
FT-0739280,
K-4822,
MFCD20134212 (95+%),
C7H13NO2S,
94-09-7,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.246g/mol |
| Monoisotopic Mass | 175.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number