3-hydrazinyl-1$l^{6}-thiolane-1,1-dione hydrochloride

• ChemBase ID: 55214
• Molecular Formular: C4H11ClN2O2S
• Molecular Mass: 186.66034
• Monoisotopic Mass: 186.02297628
• SMILES: C1S(=O)(=O)CC(C1)NN.Cl
• Canonical SMILES: NNC1CCS(=O)(=O)C1.Cl
• InChI: InChI=1S/C4H10N2O2S.ClH/c5-6-4-1-2-9(7,8)3-4;/h4,6H,1-3,5H2;1H
• InChIKey: JJAQVUUCQRGKIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinyl-1$l^{6}-thiolane-1,1-dione hydrochloride; 3-hydrazinyl-1λ^6-thiolane-1,1-dione hydrochloride
• IUPAC Traditional name: 3-hydrazinyl-1$l^{6}-thiolane-1,1-dione hydrochloride; 3-hydrazinyl-1λ^6-thiolane-1,1-dione hydrochloride
• Synonyms: 3-SULFOLANYL HYDRAZINE HCl; (1,1-Dioxidotetrahydro-3-thienyl)hydrazine hydrochloride; 3-Hydrazinotetrahydrothiophene-1-dioxide hydrochloride; 3-hydrazinyltetrahydrothiophene 1,1-dioxide hydrochloride; (1,1-dioxidotetrahydrothien-3-yl)hydrazine hydrochloride

Database IDs

• CAS Number: 1004-15-5
• MDL Number: MFCD00050640
• PubChem SID: 162059977
• PubChem CID: 2770116

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.1129103
• LogD (pH = 7.4): -2.031179
• Log P: -2.0300307
• Molar Refractivity: 45.4467 cm^3
• Polarizability: 14.463603 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 184 - 186°C; 191-193°C
• Hydrophobicity(logP): -2.205

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl

DETAILS

MP Biomedicals - 05225621

MP Biomedicals Rare Chemical collection