Basic information
- CAS
36852-51-4- Standard SMILES
CSC(C)SC(=O)OC(C)(C)C- InChIKey
FEZILGMTUQMZHI-UHFFFAOYSA-N- Molecular formula
- C8H16O2S2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.0591721
Names & identifiers
- Preferred name
- Carbonothioic acid, O-(1,1-dimethylethyl) S-(1-(methylthio)ethyl) ester
- IUPAC
- tert-butyl 1-methylsulfanylethylsulfanylformate
Names & synonyms
BRN 220612236852-51-4O-tert-Butyl S-(1-(methylthio)ethyl) carbonothioateCARBONOTHIOIC ACID, O-(1,1-DIMETHYLETHYL) S-(1-(METHYLTHIO)ETHYL) ESTERRefChem:333538SCHEMBL11875307DTXSID20958054O-tert-Butyl S-[1-(methylsulfanyl)ethyl] carbonothioate
Database identifiers
- CAS
36852-51-4- PubChem CID
- 37555
- DTXSID
DTXSID20958054
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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