2-Butylthiophene
PubChem CID: 73818
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| Compound Synonyms | 2-Butylthiophene, 1455-20-5, 2-n-Butylthiophene, THIOPHENE, 2-BUTYL-, 2-butyl-thiophene, CCRIS 6900, EINECS 215-935-1, MFCD00022534, DTXSID80163081, SCHEMBL218485, 2-N-Butylthiophene, AldrichCPR, DTXCID1085572, GEO-00632, AKOS005258102, DS-7494, SY061607, DB-042790, CS-0182118, NS00021666, F15458, EN300-7399623, Q63409709, 215-935-1, Y8G |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 28.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | CCCCccccs5 |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Heteroaromatic compounds |
| Scaffold Graph Node Level | C1CCSC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 71.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-butylthiophene |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H12S |
| Scaffold Graph Node Bond Level | c1ccsc1 |
| Inchi Key | MNDZHERKKXUTOE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 2-butyl thiophene |
| Esol Class | Soluble |
| Functional Groups | csc |
| Compound Name | 2-Butylthiophene |
| Exact Mass | 140.066 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.066 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 140.25 |
| 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/C8H12S/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3 |
| Smiles | CCCCC1=CC=CS1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Malaccensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2011.9700468