2-t-Butylthieno[2,3-b]thiophene
PubChem CID: 602491
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| Compound Synonyms | 2-t-Butylthieno[2,3-b]thiophene, SCHEMBL18876390, JGLLGJAWEFPOHD-UHFFFAOYSA-N, 2-tert-Butylthieno[2,3-b]thiophene # |
|---|---|
| Topological Polar Surface Area | 56.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 171.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-tert-butylthieno[2,3-b]thiophene |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C10H12S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JGLLGJAWEFPOHD-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -5.45 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.593 |
| Compound Name | 2-t-Butylthieno[2,3-b]thiophene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 196.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.038 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 196.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.420441333333333 |
| Inchi | InChI=1S/C10H12S2/c1-10(2,3)8-6-7-4-5-11-9(7)12-8/h4-6H,1-3H3 |
| Smiles | CC(C)(C)C1=CC2=C(S1)SC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients