2-ethylthiomorpholin-3-one

• ChemBase ID: 310011
• Molecular Formular: C6H11NOS
• Molecular Mass: 145.22264
• Monoisotopic Mass: 145.05613498
• SMILES: C1(=O)NCCSC1CC
• Canonical SMILES: CCC1SCCNC1=O
• InChI: InChI=1S/C6H11NOS/c1-2-5-6(8)7-3-4-9-5/h5H,2-4H2,1H3,(H,7,8)
• InChIKey: SEVPHUUDEVATHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylthiomorpholin-3-one
• IUPAC Traditional name: 2-ethylthiomorpholin-3-one
• Synonyms: 2-ethyl-3-thiomorpholinone

Database IDs

• MDL Number: MFCD01680317

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.46703863
• LogD (pH = 7.4): 0.4670386
• Log P: 0.46703863
• Molar Refractivity: 39.0949 cm^3
• Polarizability: 15.335038 Å^3
• Polar Surface Area: 29.1 Å^2