3-Methylthiopropylamine
PubChem CID: 77743
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| Compound Synonyms | 3-(Methylthio)propylamine, 4104-45-4, 3-Methylthiopropylamine, 1-Propanamine, 3-(methylthio)-, 3-(methylsulfanyl)propan-1-amine, 3-methylsulfanylpropan-1-amine, 3-Methylthiopropanamine, 3-(methylthio)-1-propanamine, 3-Methylmercaptopropylamine, Methylmercaptopropylamine, 3-Aminopropyl methyl sulfide, 1IAP0CGD5S, MFCD00041898, 3-(Methylmercapto)propylamine, EINECS 223-875-2, S-METHYLHOMOCYSTEAMINE, 3-(methylsulfanyl)propylamine, DTXSID1063300, FEMA NO. 4649, CHEBI:16696, 1-AMINO-3-(METHYLTHIO)PROPANE, 3-METHYLSULFANYL-1-PROPYLAMINE, C03354, UNII-1IAP0CGD5S, Propylamine, 3-(methylthio)-, methylthiopropylamine, 3-methylthio-propylamine, 3-MTPA, 3-(methylthio)-propylamine, 3-methylsulfanyl-propylamine, [3-(methylthio)propyl]amine, SCHEMBL22662, 3-(methylthio)propan-1-amine, DTXCID6039849, 3-(Methylthio)propylamine, 97%, 3-(Methylsulfanyl)-1-propanamine #, BBL102293, STL556092, AKOS005203380, MS-20419, SY050465, DB-070131, CS-0204914, M0754, NS00022156, EN300-63965, Q21099103, 223-875-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 51.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CSCCCN |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Thioethers |
| Classyfire Subclass | Dialkylthioethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 23.5 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylsulfanylpropan-1-amine |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 0.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H11NS |
| Inchi Key | KKYSBGWCYXYOHA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | propylamine, 3-methylthio |
| Esol Class | Very soluble |
| Functional Groups | CN, CSC |
| Compound Name | 3-Methylthiopropylamine |
| Exact Mass | 105.061 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 105.061 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 105.2 |
| 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/C4H11NS/c1-6-4-2-3-5/h2-5H2,1H3 |
| Smiles | CSCCCN |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Iberis Amara (Plant) Rel Props:Reference:ISBN:9788185042084 - 2. Outgoing r'ship
FOUND_INto/from Iberis Coronaria (Plant) Rel Props:Reference:ISBN:9788185042084