Pyrrolidine dithiocarbamic acid
PubChem CID: 65351
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| Compound Synonyms | Pyrrolidine-1-carbodithioic acid, Pyrrolidine dithiocarbamic acid, Pyrrolidine dithiocarbamate, 25769-03-3, 1-Pyrrolidinecarbodithioic acid, PDTC, Pyrrolidinedithiocarbamate, Pyrrolidine-N-carbodithioic acid, apdc, Tetramethylenedithiocarbamic acid, RG3HRQ45HY, Ammonium pyrrolidine dithiocarbamate, 1-Pyrrolidinecarbodithioic acid, ammonium salt, CHEBI:78782, Ammonium 1-pyrrolidinecarbodithioate, 5108-96-3, NSC298194, Pyrrolidine-N-dithiocarbamic acid ammonium salt, UNII-RG3HRQ45HY, NCIOpen2_000025, Lopac0_001033, SCHEMBL322100, CHEMBL399491, 1-Pyrrolidinedithiocarbamic acid, DTXSID00180437, 1-Pyrrolidinecarbodithioic acid #, PDTC & Z-100, VSWDORGPIHIGNW-UHFFFAOYSA-N, HMS1787J02, PDSP1_000811, PDSP1_000812, PDSP2_000798, PDSP2_000799, STL146643, AKOS005720778, 1-PYRROLIDINEDITHIOCARBOXYLIC ACID, 1-Pyrrolidinecarbodithioic acid & Z-100, Pyrrolidinecarbodithioc acid ammonium salt, Pyrrolidinodithiocarbamic acid ammonia salt, CS-0450422, Pyrrolidinedithiocarboxylic acid ammonium salt, EN300-06871, 1-Pyrrolidinedithiocarboxylic acid ammonium salt, 25769-03-3 PYRROLIDINEDITHIOCARBAMATE, Pyrrolidinedithiocarbamate ammonium, APDC, PDTC?, Q7263769, BRD-K80970344-201-08-6, Z56946833 |
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| Topological Polar Surface Area | 36.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 96.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pyrrolidine-1-carbodithioic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C5H9NS2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VSWDORGPIHIGNW-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -4.534 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.949 |
| Compound Name | Pyrrolidine dithiocarbamic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 147.018 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 147.018 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 147.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6509615999999998 |
| Inchi | InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8) |
| Smiles | C1CCN(C1)C(=S)S |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chloranthus Serratus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Helminthostachys Zeylanica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Solanum Lycopersicum (Plant) Rel Props:Source_db:cmaup_ingredients