Goitrin
PubChem CID: 7568320
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| Compound Synonyms | Goitrin, 500-12-9, Goitrin, L-, (S)-5-Vinyloxazolidine-2-thione, Goitrin, l, 5-vinyl-2-thiooxazolidone, 2-OXAZOLIDINETHIONE, 5-ETHENYL-, (5S)-, HSDB 7068, (-)-5-Vinyl-2-oxazolidinethione, 7Q618OJ6K9, GOITRIN [HSDB], GOITRIN [MI], (5S)-5-Ethenyl-2-oxazolidinethione, 2-Oxazolidinethione, 5-ethenyl-, (S)-, L-5-Vinyl-2-thiooxazolidinone, (5S)-5-ethenyl-1,3-oxazolidine-2-thione, DTXSID501032368, 2-Oxazolidinethione, 5-ethenyl-,(s)-, 2-Oxazolidinethione, 5-vinyl-, (S)-, (S)-Goitrin, (S)-5-Ethenyl-2-oxazolidinethione, UNII-7Q618OJ6K9, L-Goitrin, (-)-Goitrin, 5vinyl2thiooxazolidone, Goitrin (optically pure), ()5vinyl2oxazolidinethione, 5-vinyloxazolidin-2-thione, L-5-Vinyl-2-thiooxazolidone, (S)5Ethenyl2oxazolidinethione, SCHEMBL340218, L-5-Vinyl-2-oxazolidinethione, CHEBI:80751, HY-N0224A, DTXCID601517371, (S)-5-Ethenyl-2-oxadolidinethione, 2Oxazolidinethione, 5ethenyl, (S), CS-0198395, E88972, Q27887228 |
|---|---|
| Topological Polar Surface Area | 53.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 124.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-5-ethenyl-1,3-oxazolidine-2-thione |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C5H7NOS |
| Prediction Swissadme | 0.0 |
| Inchi Key | UZQVYLOFLQICCT-BYPYZUCNSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.711 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.429 |
| Compound Name | Goitrin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 129.025 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 129.025 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 129.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2427408 |
| Inchi | InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)/t4-/m0/s1 |
| Smiles | C=C[C@H]1CNC(=S)O1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients