Basic information
- CAS
53278-45-8- Standard SMILES
CC(SC(=S)N1CCOCC1)C(=O)O- InChIKey
RABIBPKBSIYLFA-UHFFFAOYSA-N- Molecular formula
- C8H13NO3S2
- Average molar mass
- 235.3 g/mol
- Monoisotopic mass
- 235.03368562
Names & identifiers
- Preferred name
- Propanoic acid, 2-[(4-morpholinylthioxomethyl)thio]-
- IUPAC
- 2-(morpholine-4-carbothioylsulfanyl)propanoic acid
Names & synonyms
propanoic acid, 2-[(4-morpholinylthioxomethyl)thio]-53278-45-82-(morpholine-4-carbothioylsulfanyl)propanoic acidNSC856072-[(Morpholine-4-carbothioyl)sulfanyl]propanoic acidChemDiv3_002798Oprea1_313345CBDivE_013970MLS000551322CHEMBL1331482DTXSID70292798HMS1480P04
Show more names
HMS2171B03HMS3353B12NSC-85607STK701064AKOS001651312AKOS021997982SMR000145248SR-01000479258
Database identifiers
- CAS
53278-45-8- PubChem CID
- 257522
- DTXSID
DTXSID70292798- ChEMBL
CHEMBL1331482
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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