Basic information
- CAS
120996-10-3- Standard SMILES
CCOC(=O)CSC(=S)N1CCCC1- InChIKey
QDZFNOANYPICOM-UHFFFAOYSA-N- Molecular formula
- C9H15NO2S2
- Average molar mass
- 233.4 g/mol
- Monoisotopic mass
- 233.05442107
Names & identifiers
- Preferred name
- Ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate
- IUPAC
- ethyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate
Names & synonyms
STK519389NSC85664DTXSID30292810NSC-85664AKOS003309529Ethyl [(pyrrolidine-1-carbothioyl)sulfanyl]acetateethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate
Database identifiers
- CAS
120996-10-3- PubChem CID
- 257557
- DTXSID
DTXSID30292810
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…