2-(dimethylamino)ethanethioamide dihydrochloride

• ChemBase ID: 121640
• Molecular Formular: C4H12Cl2N2S
• Molecular Mass: 191.12248
• Monoisotopic Mass: 190.00982475
• SMILES: C(=S)(CN(C)C)N.Cl.Cl
• Canonical SMILES: CN(CC(=S)N)C.Cl.Cl
• InChI: InChI=1S/C4H10N2S.2ClH/c1-6(2)3-4(5)7;;/h3H2,1-2H3,(H2,5,7);2*1H
• InChIKey: BIDSSVADXILHIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)ethanethioamide dihydrochloride
• IUPAC Traditional name: 2-(dimethylamino)ethanethioamide dihydrochloride
• Synonyms: 2-(dimethylamino)ethanethioamide dihydrochloride

Database IDs

• PubChem SID: 162215993
• PubChem CID: 51051851

CALCULATED PROPERTIES

• Acid pKa: 12.035209
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.5125036
• LogD (pH = 7.4): -2.030158
• Log P: -0.24892026
• Molar Refractivity: 35.8858 cm^3
• Polarizability: 14.210565 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl