3-Aminopropanethiol
PubChem CID: 97436
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| Compound Synonyms | 3-Aminopropanethiol, 3-aminopropane-1-thiol, 462-47-5, Homocysteamine, 3-Mercaptopropylamine, 1-Propanethiol, 3-amino-, Mercaptopropylamine, 3-amino-1-propanethiol, EINECS 207-326-4, 3-Amino-propane-1-thiol, NSC 123021, BRN 1731100, aminopropylmercaptan, 4LJ, XL3, 1-amino-3-propanethiol, 3-mercapto propyl amine, NCIOpen2_000573, 4-04-00-01655 (Beilstein Handbook Reference), CHEBI:38933, DTXSID50196765, NSC123021, AKOS005169827, NSC-123021, DB-348129, NS00031592, EN300-85159, Q27118040 |
|---|---|
| Topological Polar Surface Area | 27.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 16.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-aminopropane-1-thiol |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C3H9NS |
| Prediction Swissadme | 0.0 |
| Inchi Key | IYGAMTQMILRCCI-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.923 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.731 |
| Compound Name | 3-Aminopropanethiol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 91.0456 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 91.0456 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 91.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.22920979999999985 |
| Inchi | InChI=1S/C3H9NS/c4-2-1-3-5/h5H,1-4H2 |
| Smiles | C(CN)CS |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Ampeloprasum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:cmaup_ingredients