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

• ChemBase编号: 18608
• 分子式: C5H12N2O2S
• 平均质量: 164.22598
• 单一同位素质量: 164.06194863
• SMILES: S1(=O)(=O)CC(CC1)(NN)C
• Canonical SMILES: NNC1(C)CCS(=O)(=O)C1
• InChI: InChI=1S/C5H12N2O2S/c1-5(7-6)2-3-10(8,9)4-5/h7H,2-4,6H2,1H3
• InChIKey: GQBCUVUIZMAQCO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-hydrazinyl-3-methyl-1$l^{6}-thiolane-1,1-dione; 3-hydrazinyl-3-methyl-1λ^6-thiolane-1,1-dione
• IUPAC传统名: 3-hydrazinyl-3-methyl-1$l^{6}-thiolane-1,1-dione; 3-hydrazinyl-3-methyl-1λ^6-thiolane-1,1-dione
• 别名: (3-methyl-1,1-dioxidotetrahydro-3-thienyl)hydrazine; 3-hydrazinyl-3-methyl-1$l^{6}-thiolane-1,1-dione; (3-Methyl-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-hydrazine; (3-Methyl-1,1-dioxidotetrahydro-3-thienyl)hydrazine hydrochloride

登记号

• CAS号: 874-96-4
• MDL号: MFCD09033831; MFCD03038140
• PubChem SID: 160981915
• PubChem CID: 4737809

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -1.852786
• LogD (pH = 7.4): -1.7509149
• Log P: -1.749454
• 摩尔折射率: 50.0849 cm^3
• 极化性: 16.288404 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

• 分配系数: -0.109
• 疏水性(logP): -1.686

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95%; 95+%
• 成盐信息: HCl