Tetrahydrothiophene
PubChem CID: 1127
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | tetrahydrothiophene, Thiolane, 110-01-0, Thiophene, tetrahydro-, Thiophane, Thiacyclopentane, Tetramethylene sulfide, Thilane, Tetrahydrothiophen, Thiofan, Thiolan, Pennodorant 1013, Tetrahydrothiofen, Thiofan [Czech], Tetramethylenesulfide, Pennodorant 1073, Tetrahydrothiofen [Czech], NSC 5272, HSDB 6122, EINECS 203-728-9, UNII-744EHT13FM, UN2412, 744EHT13FM, DTXSID3047760, CHEBI:48458, Tetramethylene sulphide, AI3-30989, NSC-5272, THT, TETRAHYDROTHIOPHENE [MI], DTXCID8027743, EC 203-728-9, UN 2412, THT, thiophene, MFCD00005476, thiocyclopentane, tetrahydro-thiophene, thiophene, tetrahydro, Tetrahydrothiophene, 99%, CHEMBL1379, NSC5272, Tox21_304026, AKOS006220479, Tetrahydrothiophene, analytical standard, NCGC00357279-01, CAS-110-01-0, NS00003128, T0114, EN300-105780, Q412118, Tetrahydrothiophene [UN2412] [Flammable liquid], 203-728-9 |
|---|---|
| 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 | C1CCCC1 |
| Deep Smiles | CCCCS5 |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Thiolanes |
| Description | Flavouring compound [Flavornet] |
| Scaffold Graph Node Level | C1CCSC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 22.8 |
| Database Name | fooddb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | thiolane |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H8S |
| Scaffold Graph Node Bond Level | C1CCSC1 |
| Inchi Key | RAOIDOHSFRTOEL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | tetrahydrothiophene |
| Esol Class | Very soluble |
| Functional Groups | CSC |
| Compound Name | Tetrahydrothiophene |
| Exact Mass | 88.0347 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 88.0347 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 88.17 |
| 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/C4H8S/c1-2-4-5-3-1/h1-4H2 |
| Smiles | C1CCSC1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Eruca Vesicaria (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1883