3-(methylsulfanyl)oxetane

• ChemBase编号: 136362
• 分子式: C4H8OS
• 平均质量: 104.17072
• 单一同位素质量: 104.02958588
• SMILES: CSC1COC1
• Canonical SMILES: CSC1COC1
• InChI: InChI=1S/C4H8OS/c1-6-4-2-5-3-4/h4H,2-3H2,1H3
• InChIKey: DSBLNGNIKQEOSV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(methylsulfanyl)oxetane
• IUPAC传统名: 3-(methylsulfanyl)oxetane
• 别名: 3-(Methylsulfanyl)oxetane

登记号

• MDL号: MFCD14586410
• PubChem SID: 162230632
• PubChem CID: 55280741

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.6649857
• LogD (pH = 7.4): 0.6649857
• Log P: 0.6649857
• 摩尔折射率: 27.867 cm^3
• 极化性: 11.126714 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C4H8OS

详细说明

Sigma Aldrich - L500062

Other Notes
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