3,6-Dihydro-2H-thiopyran
PubChem CID: 567880
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| Compound Synonyms | 3,6-Dihydro-2H-thiopyran, 5,6-Dihydro-2H-thiopyran, 40697-99-2, 2H-thiopyran, 3,6-dihydro-, .delta.3-Dihydrothiopyran, 2H-Thiopyran, 5,6-dihydro-, 3,6-Dihydro-2H-thiopyran #, SCHEMBL1012959, UNVYSECOIMWWKM-UHFFFAOYSA-N, CS-D1534, G79429, InChI=1/C5H8S/c1-2-4-6-5-3-1/h1-2H,3-5H |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 25.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | SCCC=CC6 |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Thiopyrans |
| Scaffold Graph Node Level | C1CCSCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 57.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6-dihydro-2H-thiopyran |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H8S |
| Scaffold Graph Node Bond Level | C1=CCSCC1 |
| Inchi Key | UNVYSECOIMWWKM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2h-thiopyran,5,6-dihydro |
| Esol Class | Very soluble |
| Functional Groups | CC=CC, CSC |
| Compound Name | 3,6-Dihydro-2H-thiopyran |
| Exact Mass | 100.035 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 100.035 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 100.18 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H8S/c1-2-4-6-5-3-1/h1-2H,3-5H2 |
| Smiles | C1CSCC=C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Allium Wallichii (Plant) Rel Props:Reference:https://doi.org/10.1016/s0167-4501(06)80207-4