4-Thiocresol
PubChem CID: 7811
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-Methylbenzenethiol, p-Thiocresol, 106-45-6, p-Toluenethiol, 4-Methylthiophenol, 4-THIOCRESOL, Benzenethiol, 4-methyl-, p-Methylthiophenol, p-Tolyl mercaptan, p-Tolylthiol, 4-Toluenethiol, p-Thiolcresol, p-Mercaptotoluene, p-Methylbenzenethiol, p-Tolylthiophenol, Toluene-4-thiol, p-Methylphenyl mercaptan, 4-Methylphenyl mercaptan, 4-Mercaptotoluene, 1-Mercapto-4-methylbenzene, USAF EK-510, 4-Methyl-benzenethiol, p-Methylphenylmercaptan, 4-Methylphenylmercaptan, Toluene, 4-mercapto-, 4-methylbenzene-1-thiol, p-Methylbenzenthiol, NSC 2227, HSDB 2024, Thio-p-cresol, 6L2WW9XYZO, EINECS 203-399-1, 4-methylphenylthiol, BRN 0605761, DTXSID5048188, AI3-09056, 4-methyl-1-thiophenol, NSC-2227, P-METHYLPHENYLTHIOL, P-THIOCRESOL [MI], NSC-229565, 4-THIOCRESOL [HSDB], DTXCID0028163, 4-06-00-02153 (Beilstein Handbook Reference), UNII-6L2WW9XYZO, pThiocresol, pThiolcresol, pToluenethiol, pTolylthiol, paratoluenethiol, pMercaptotoluene, pTolylthiophenol, 4Toluenethiol, rho-Thiocresol, pMethylthiophenol, pTolyl mercaptan, 4methylthiophenol, para-toluenethiol, pMethylbenzenethiol, 4methylbenzenethiol, 4-mercapto-toluene, Toluene, 4mercapto, 4-methyl-thiophenol, 4-methylthio-phenol, pMethylphenylmercaptan, 4Methylphenylmercaptan, (4-methyl)thiophenol, 4-methyl benzenethiol, 4-methylbenzene thiol, Benzenethiol, 4methyl, pMethylphenyl mercaptan, 1Mercapto4methylbenzene, 4Methylphenyl mercaptan, 4-METHYL THIOPHENOL, WLN: SHR D1, 4-Methylbenzenethiol, 98%, SCHEMBL72612, CHEMBL119359, NSC2227, STR00880, Tox21_303614, MFCD00004851, NSC229565, AKOS000120273, FM42992, FT32348, PS-5132, NCGC00257443-01, BP-12556, CAS-106-45-6, PD168616, NS00023411, T0290, EN300-18298, Q18466653, F0001-0122, 4-Methyl thiophenol, 4-Methylthio phenol, 4-methylbenzenethiol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 1.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | Ccccccc6))S |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Thiophenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 62.8 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methylbenzenethiol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H8S |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | WLHCBQAPPJAULW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | p-methylbenzenthiol |
| Esol Class | Soluble |
| Functional Groups | cS |
| Compound Name | 4-Thiocresol |
| Exact Mass | 124.035 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 124.035 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 124.21 |
| 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/C7H8S/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3 |
| Smiles | CC1=CC=C(C=C1)S |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Mahaleb (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1596