DL-Goitrin
PubChem CID: 3034683
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| Compound Synonyms | DL-Goitrin, Goitrin, 13190-34-6, 2-Oxazolidinethione, 5-ethenyl-, 5-Vinyloxazolidine-2-thione, 5-ethenyl-1,3-oxazolidine-2-thione, 5-Vinyl-2-oxazolidinethione, 5-Ethenyl-2-oxazolidinethione, 5-vinylthiooxazolidone, (+/-)-goitrin, 5-vinyloxazolidinethione, 5-vinyl-2-thiooxazolidinone, O8KVD7J2P5, 5-vinyl-2-oxazolidine-2-thione, ( -)-Goitrin, (+-)-Goitrin, EINECS 236-145-3, UNII-O8KVD7J2P5, (plusmn)-goitrin, (R,S)-Goitrin, 2-Oxazolidinethione, 5-vinyl-, DL-, DL-Goitrin (Standard), GOITRIN, DL-, 5-Vinyloxazolidone-2-thione, 5-vinyl-oxazolidine-2-thione, SCHEMBL340219, CHEMBL508652, GOITRIN, (+/-)-, GTPL12495, HY-N5056R, DTXSID10274235, CHEBI:183227, DL-Goitrin, 5-Vinylthiooxazolidone, HY-N5056, 5-vinyl-4,5-dihydrooxazol-2-thiol, MFCD00015467, s3251, AKOS025402176, 2-OXAZOLIDINETHIONE, 5-VINYL-, 5-Vinyl-1,3-oxazolidine-2-thione #, AC-6038, 13997-13-2, DA-53671, FV166649, LS-13042, XG181270, CS-0032210, NS00052048, Q5577929 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P15101 |
| Iupac Name | 5-ethenyl-1,3-oxazolidine-2-thione |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C5H7NOS |
| Prediction Swissadme | 0.0 |
| Inchi Key | UZQVYLOFLQICCT-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.417 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.158 |
| Compound Name | DL-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 | -1.2427407999999998 |
| Inchi | InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8) |
| Smiles | C=CC1CNC(=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