Propyl sulfide
PubChem CID: 8118
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| Compound Synonyms | Propyl sulfide, Dipropyl sulfide, 111-47-7, Di-n-propyl sulfide, Dipropyl thioether, Propane, 1,1'-thiobis-, Dipropyl sulphide, Propyl monosulfide, 4-THIAHEPTANE, dipropylsulfide, n-Propyl sulfide, 1,1'-Thiobispropane, 1-propylsulfanylpropane, 1-(Propylsulfanyl)propane, di-N-propylsulfide, 1,1'-thiodipropane, 1,1'-Thiobis(Propane), dipropylsulfane, NSC 78429, CCRIS 3253, EINECS 203-873-8, Q6J7GNX8F9, PROPYL SULPHIDE, AI3-18787, di-(1-propanyl) sulfide, MFCD00009379, NSC-78429, DIPROPYL SULFIDE [MI], DTXSID3021934, FEMA NO. 4297, DIPROPYL SULFIDE-, Propylsulfide, UNII-Q6J7GNX8F9, 4Thiaheptane, Dinpropyl sulfide, (n-C3H7)2S, N-Propyl-Sulfide, 1,1'Thiobispropane, 1-propylsulanylpropane, Di-n-propyl thioether, Propane,1'-thiobis-, Propane, 1,1'thiobis, Propyl sulfide (8CI), 1,1'-Thiobis-Propane, Dipropyl sulfide, 97%, SCHEMBL42070, 1-(Propylsulfanyl)propane #, DTXCID401934, CHEBI:169566, NSC78429, STL453665, AKOS015897423, AS-85222, DB-003767, NS00021519, P0532, D91969, 3,3'-Bis(benzylamino)-3,3'-dioxo-Dipropylsulfide, Q27287061 |
|---|---|
| Topological Polar Surface Area | 25.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Description | Found in garlic, onion and mustard [Goodscents] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 23.4 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-propylsulfanylpropane |
| Prediction Hob | 1.0 |
| Class | Thioethers |
| Xlogp | 2.7 |
| Superclass | Organosulfur compounds |
| Subclass | Dialkylthioethers |
| Molecular Formula | C6H14S |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZERULLAPCVRMCO-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.53 |
| Rotatable Bond Count | 4.0 |
| State | Liquid |
| Logd | 3.283 |
| Synonyms | 1-(Propylsulfanyl)propane, 1,1'-Thiobis-propane, 1,1'-Thiobispropane, 3,3'-Bis(benzylamino)-3,3'-dioxo-dipropylsulfide, 3,3'-thiobis(N-benzylpropanamide), 4-Thiaheptane, Di-n-propyl sulfide, Dipropyl sulfide, Dipropyl sulphide, Dipropyl thioether, Dipropylsulfide, 3,3'-bis(benzylamino)-3,3'-dioxo-, N-propyl sulfide, N-Propyl-sulfide, Propane, 1,1'-thiobis-, Propyl monosulfide, Propyl sulfide, Sulfide, n-propyl-, 3,3'-Thiobis(N-benzylpropanamide), Di-N-propyl sulfide, N-Propyl sulfide, 1-(Propylsulphanyl)propane |
| Substituent Name | Dialkylthioether, Sulfenyl compound, Hydrocarbon derivative, Aliphatic acyclic compound |
| Compound Name | Propyl sulfide |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 118.082 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 118.082 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 118.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -1.9849190000000003 |
| Inchi | InChI=1S/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3 |
| Smiles | CCCSCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Dialkylthioethers |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all