| CAS Number | 412307-34-7 |
| Catalog Number | AG00IMKO(AGN-PC-0WQUPE) |
| Chemical Name | Ethanethioylglycine |
| IUPAC Name | 2-(ethanethioylamino)acetic acid |
| InChI | InChI=1S/C4H7NO2S/c1-3(8)5-2-4(6)7/h2H2,1H3,(H,5,8)(H,6,7) |
| InChI Key | MOPCBCAABYPLOC-UHFFFAOYSA-N |
| MDL Number | MFCD19226316 |
| Molecular Formula | C4H7NO2S |
| Molecular Weight | 133.1689 |
| SMILES | O=C(O)CNC(C)=S |
| Synonyms | N-(1-Thioxoethyl)glycine,
412307-34-7,
2-Ethanethioamidoacetic Acid,
SCHEMBL1162339,
AKOS006378856,
T3312,
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| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 133.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 133.165g/mol |
| Monoisotopic Mass | 133.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number