8-(Methylthio)octylamine
PubChem CID: 19892123
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| Compound Synonyms | 8-(methylthio)octylamine, 98958-45-3, 8-(METHYLSULFANYL)OCTAN-1-AMINE, methylthiooctylamine, 8-methylthiooctylamine, 8-MeS-octyl-NH2, 8-methylsulfanyloctylamine, 8-(methylsulfanyl)octylamine, 8-methylsulfanyloctan-1-amine, SCHEMBL9696018, CHEBI:91159, DTXSID00601056, Q27163095 |
|---|---|
| Topological Polar Surface Area | 51.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 66.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-methylsulfanyloctan-1-amine |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Is Pains | False |
| Molecular Formula | C9H21NS |
| Prediction Swissadme | 0.0 |
| Inchi Key | FBFJELLIZHWAOM-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 8.0 |
| Compound Name | 8-(Methylthio)octylamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 175.139 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 175.139 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 175.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9426142 |
| Inchi | InChI=1S/C9H21NS/c1-11-9-7-5-3-2-4-6-8-10/h2-10H2,1H3 |
| Smiles | CSCCCCCCCCN |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients