Morpholine, 4-(1-thioxo-2-(2-thioxo-1-pyrrolidinyl)ethyl)-
Basic information
- CAS
127040-62-4- Standard SMILES
S=C(CN1CCCC1=S)N1CCOCC1- InChIKey
KRKCDFNOMHMFSK-UHFFFAOYSA-N- Molecular formula
- C10H16N2OS2
- Average molar mass
- 244.4 g/mol
- Monoisotopic mass
- 244.07040549
Names & identifiers
- Preferred name
- Morpholine, 4-(1-thioxo-2-(2-thioxo-1-pyrrolidinyl)ethyl)-
- IUPAC
- 1-(2-morpholin-4-yl-2-sulfanylideneethyl)pyrrolidine-2-thione
Names & synonyms
127040-62-4Morpholine, 4-(1-thioxo-2-(2-thioxo-1-pyrrolidinyl)ethyl)-1-Thiocarboxymethylpyrrolidine-2-thione N-morpholide4-(1-Thioxo-2-(2-thioxo-1-pyrrolidinyl)ethyl)morpholineDTXSID10155393RefChem:357623DTXCID70778841-(2-morpholin-4-yl-2-sulfanylideneethyl)pyrrolidine-2-thione1-[2-(4-morpholinyl)-2-thioxoethyl]-2-pyrrolidinethioneHMS1582I22MLS001180361CHEMBL1902790
Show more names
HMS2793G23CCG-2619STL324021AKOS022139914SDCCGMLS-0065196.P001SMR000476343AB00083320-01AH-262/02645006
Database identifiers
- CAS
127040-62-4- PubChem CID
- 743345
- DTXSID
DTXSID10155393- ChEMBL
CHEMBL1902790
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 264
Experimental & physicochemical properties
Solubility>36.7 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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