S,S-dimethyl carbonodithioate
PubChem CID: 313474
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | S,S'-Dimethyl dithiocarbonate, 868-84-8, S,S-Dimethyl dithiocarbonate, bis(methylsulfanyl)methanone, S,S-dimethyl carbonodithioate, s,s-dimethyldithiocarbonate, Dithiocarbonicaciddiethylester, Dithiocarbonic Acid S,S'-Dimethyl Ester, Carbonodithioic acid, S,S-dimethyl ester, CHEMBL4796378, NSC-227849, Carbonodithioic acid S,S-dimethyl ester, methylthio ketone, Carbonodithioic Acid S,S-Dimethyl Ester, Dithiocarbonic Acid S,S-Dimethyl Ester, Dithiocarbonic Acid S,S'-Dimethyl Ester, NSC 227849, starbld0016678, Carbonic acid, dithio-, S,S-dimethyl ester, EC 617-931-9, 3VA2L63KTH, SCHEMBL41116, S,S inverted exclamation marka-Dimethyl dithiocarbonate, IUXMJLLWUTWQFX-UHFFFAOYSA-, DTXSID20310491, Carbonic acid, S,S-dimethyl ester, BDBM50549991, Carbonodithioic acid,S-dimethyl ester, MFCD00144163, NSC227849, S,S'-Dimethyl dithiocarbonate, 97%, AKOS015852527, FD40912, NSC 227849, AS-61825, D2114, NS00003880, D89996, A841870, InChI=1/C3H6OS2/c1-5-3(4)6-2/h1-2H3, 617-931-9 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 67.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CSC=O)SC |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Organic carbonic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 46.8 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | bis(methylsulfanyl)methanone |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C3H6OS2 |
| Inchi Key | IUXMJLLWUTWQFX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | s,s-dimethyl dithiocarbonate |
| Esol Class | Very soluble |
| Functional Groups | CSC(=O)SC |
| Compound Name | S,S-dimethyl carbonodithioate |
| Exact Mass | 121.986 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 121.986 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 122.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C3H6OS2/c1-5-3(4)6-2/h1-2H3 |
| Smiles | CSC(=O)SC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Paederia Foetida (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090106