Vinyldithiin
PubChem CID: 10219489
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| Compound Synonyms | vinyldithiin, SCHEMBL1300806 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 50.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | C=CC=CC=CSS6 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Dithiins |
| Scaffold Graph Node Level | C1CCSSC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 145.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethenyldithiine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H6S2 |
| Scaffold Graph Node Bond Level | C1=CSSC=C1 |
| Inchi Key | LMWHRTZSJLYLAJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | vinyldithiins |
| Esol Class | Soluble |
| Functional Groups | C=CC1=CC=CSS1 |
| Compound Name | Vinyldithiin |
| Exact Mass | 141.991 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 141.991 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 142.2 |
| 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/C6H6S2/c1-2-6-4-3-5-7-8-6/h2-5H,1H2 |
| Smiles | C=CC1=CC=CSS1 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Reference:ISBN:9788172362089