2-(Methyldithio)Pyrimidine
PubChem CID: 12278995
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| Compound Synonyms | 2-(Methyldithio)pyrimidine, 2-(methyldisulfanyl)pyrimidine, CHEMBL538438, SCHEMBL11446563 |
|---|---|
| Topological Polar Surface Area | 76.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 73.4 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(methyldisulfanyl)pyrimidine |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C5H6N2S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NZAUEHNRHSVOMQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.142 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.873 |
| Compound Name | 2-(Methyldithio)Pyrimidine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 157.997 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 157.997 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 158.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.862889533333333 |
| Inchi | InChI=1S/C5H6N2S2/c1-8-9-5-6-3-2-4-7-5/h2-4H,1H3 |
| Smiles | CSSC1=NC=CC=N1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Stipitatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all