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

• ChemBase编号: 55214
• 分子式: C4H11ClN2O2S
• 平均质量: 186.66034
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 3-hydrazinyl-1$l^{6}-thiolane-1,1-dione hydrochloride; 3-hydrazinyl-1λ^6-thiolane-1,1-dione hydrochloride
• IUPAC传统名: 3-hydrazinyl-1$l^{6}-thiolane-1,1-dione hydrochloride; 3-hydrazinyl-1λ^6-thiolane-1,1-dione hydrochloride
• 别名: 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

登记号

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

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -2.1129103
• LogD (pH = 7.4): -2.031179
• Log P: -2.0300307
• 摩尔折射率: 45.4467 cm^3
• 极化性: 14.463603 Å^3
• 极化表面积: 72.19 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 184 - 186°C; 191-193°C
• 疏水性(logP): -2.205

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95%
• 成盐信息: HCl

详细说明

MP Biomedicals - 05225621

MP Biomedicals Rare Chemical collection