2,4-Dimethoxybenzenethiol
PubChem CID: 2758492
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| Compound Synonyms | 2,4-Dimethoxythiophenol, 18906-37-1, 2,4-dimethoxybenzenethiol, 2,4-dimethoxybenzene-1-thiol, Benzenethiol, 2,4-dimethoxy-, SCHEMBL1402481, DTXSID20374351, AKOS009266203, BS-15849, CS-0150487, D82218, EN300-1262501, 675-546-1 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 19.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | COcccccc6)OC)))S |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxybenzenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 119.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-dimethoxybenzenethiol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10O2S |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | FZHTUELUUNCLRZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2,4-dimethoxythiophenol |
| Esol Class | Soluble |
| Functional Groups | cOC, cS |
| Compound Name | 2,4-Dimethoxybenzenethiol |
| Exact Mass | 170.04 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.04 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 170.23 |
| 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/C8H10O2S/c1-9-6-3-4-8(11)7(5-6)10-2/h3-5,11H,1-2H3 |
| Smiles | COC1=CC(=C(C=C1)S)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Robinia Pseudoacacia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1329670