4-hydrazinyl-1λ6-thiane-1,1-dione hydrochloride

• ChemBase ID: 247669
• Molecular Formular: C5H13ClN2O2S
• Molecular Mass: 200.68692
• Monoisotopic Mass: 200.03862635
• SMILES: S1(=O)(=O)CCC(CC1)NN.Cl
• Canonical SMILES: NNC1CCS(=O)(=O)CC1.Cl
• InChI: InChI=1S/C5H12N2O2S.ClH/c6-7-5-1-3-10(8,9)4-2-5;/h5,7H,1-4,6H2;1H
• InChIKey: BWIROBKUYAHKFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-1λ^6-thiane-1,1-dione hydrochloride
• IUPAC Traditional name: 4-hydrazinyl-1λ^6-thiane-1,1-dione hydrochloride
• Synonyms: 4-hydrazinyl-1$l^{6}-thiane-1,1-dione hydrochloride

Database IDs

• PubChem SID: 164303579
• PubChem CID: 71758277

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.1755435
• LogD (pH = 7.4): -1.9733676
• Log P: -1.970071
• Molar Refractivity: 50.7257 cm^3
• Polarizability: 16.288404 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.812

Product Information

• Purity: 95%