Basic information
- CAS
30895-92-2- Standard SMILES
COC(=O)CSC(=S)N1CCOCC1- InChIKey
WYTNACXTTLHQLV-UHFFFAOYSA-N- Molecular formula
- C8H13NO3S2
- Average molar mass
- 235.3 g/mol
- Monoisotopic mass
- 235.03368562
Names & identifiers
- Preferred name
- Methyl [(morpholine-4-carbothioyl)sulfanyl]acetate
- IUPAC
- methyl 2-(morpholine-4-carbothioylsulfanyl)acetate
Names & synonyms
30895-92-2NSC85736Methyl [(morpholine-4-carbothioyl)sulfanyl]acetateSCHEMBL13433494DTXSID00953067NSC-85736
Database identifiers
- CAS
30895-92-2- PubChem CID
- 257585
- DTXSID
DTXSID00953067
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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