[(morpholin-4-yl)amino]carbodithioic acid

• ChemBase ID: 108460
• Molecular Formular: C5H10N2OS2
• Molecular Mass: 178.2757
• Monoisotopic Mass: 178.02345495
• SMILES: SC(=S)NN1CCOCC1
• Canonical SMILES: SC(=S)NN1CCOCC1
• InChI: InChI=1S/C5H10N2OS2/c9-5(10)6-7-1-3-8-4-2-7/h1-4H2,(H2,6,9,10)
• InChIKey: AELJUOLUTZKBIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(morpholin-4-yl)amino]carbodithioic acid
• IUPAC Traditional name: morpholin-4-ylaminocarbodithioic acid
• Synonyms: MORPHOLINODITHIOCARBAMIC ACID SODIUM SALT

Database IDs

• PubChem SID: 162106159
• PubChem CID: 3569030

CALCULATED PROPERTIES

• Acid pKa: 1.9129227
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.64414805
• LogD (pH = 7.4): -0.64567566
• Log P: 0.30748445
• Molar Refractivity: 47.893 cm^3
• Polarizability: 18.994898 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207433

MP Biomedicals Rare Chemical collection