5-Methyl-1,2,3,4-tetrathiane
PubChem CID: 5319787
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| Compound Synonyms | 5-Methyl-1,2,3,4-tetrathiane, 1,2,3,4-Tetrathiane, 5-methyl-, 116664-30-3, DTXSID80415759, 5-Methyl-1,2,3,4-tetrathiacyclohexane, methyl-1,2,3,4-tetrathiane, SCHEMBL1953341, DTXCID50366608 |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 54.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyltetrathiane |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C3H6S4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MUHSSCIXCFPQHS-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.569 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.957 |
| Compound Name | 5-Methyl-1,2,3,4-tetrathiane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 169.935 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 169.935 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 170.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1498638000000003 |
| Inchi | InChI=1S/C3H6S4/c1-3-2-4-6-7-5-3/h3H,2H2,1H3 |
| Smiles | CC1CSSSS1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Macrostemon (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Stephania Tetrandra (Plant) Rel Props:Source_db:cmaup_ingredients