4,5-Dihydro-furo[3,4-d][1,3]thiazin-7-one
PubChem CID: 14039822
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| Compound Synonyms | AC107, 4,5-Dihydro-furo[3,4-d][1,3]thiazin-7-one, CHEBI:202062, 1,2,4,5-tetrahydrouro[3,4-d][1,3]thiazin-7-one |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,4,5-tetrahydrofuro[3,4-d][1,3]thiazin-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C6H7NO2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | CUCJMAKCOOSZNH-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.999 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.837 |
| Compound Name | 4,5-Dihydro-furo[3,4-d][1,3]thiazin-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 157.02 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 157.02 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 157.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9910027999999997 |
| Inchi | InChI=1S/C6H7NO2S/c8-6-5-4(1-9-6)2-10-3-7-5/h7H,1-3H2 |
| Smiles | C1C2=C(C(=O)O1)NCSC2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Maytenus Mossambicensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pinellia Pedatisecta (Plant) Rel Props:Source_db:cmaup_ingredients