ethyl (2Z)-2-hydroxyimino-2-methylsulfanylacetate
PubChem CID: 20260950
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| Compound Synonyms | 245728-57-8, SCHEMBL10925083, Acetic acid,(hydroxyimino)(methylthio)-,ethyl ester,(2Z)-(9ci) |
|---|---|
| Topological Polar Surface Area | 84.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 146.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl (2Z)-2-hydroxyimino-2-methylsulfanylacetate |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C5H9NO3S |
| Prediction Swissadme | 1.0 |
| Inchi Key | KWUFIDBPFUUSIN-XQRVVYSFSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.832 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.894 |
| Compound Name | ethyl (2Z)-2-hydroxyimino-2-methylsulfanylacetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 163.03 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 163.03 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 163.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.9234276000000003 |
| Inchi | InChI=1S/C5H9NO3S/c1-3-9-5(7)4(6-8)10-2/h8H,3H2,1-2H3/b6-4- |
| Smiles | CCOC(=O)/C(=N/O)/SC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients