2-(Methyldithio)Thiophene
PubChem CID: 45272211
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| Compound Synonyms | 2-(Methyldithio)thiophene, 2-(methyldithio) thiophene, 2-(methyldisulfanyl)thiophene, CHEMBL554538 |
|---|---|
| Topological Polar Surface Area | 78.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 64.7 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(methyldisulfanyl)thiophene |
| Prediction Hob | 0.0 |
| Xlogp | 2.5 |
| Molecular Formula | C5H6S3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WRASPQWAKZMYQU-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.731 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.538 |
| Compound Name | 2-(Methyldithio)Thiophene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 161.963 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 161.963 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 162.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7391848 |
| Inchi | InChI=1S/C5H6S3/c1-6-8-5-3-2-4-7-5/h2-4H,1H3 |
| Smiles | CSSC1=CC=CS1 |
| 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