HCID170168

2-Butanone, 3,3-dimethyl-1-(methylthio)-

3,3-dimethyl-1-methylsulfanylbutan-2-one

C7H14OS146.25 g/molCAS 39199-12-7

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IDENTITY

结构与身份

标准SMILES: CSCC(=O)C(C)(C)C
InChIKey: MHHUUPYWCAKNBW-UHFFFAOYSA-N
分子式: C7H14OS
平均分子量: 146.25 g/mol
单同位素质量: 146.07653624

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 42.4 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 3
重原子: 9
形式电荷: 0
复杂度: 102

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Chemical: 2-Butanone, 3,3-dimethyl-1-(methylthio)-

Other Safety Information

Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Chemical: 2-Butanone, 3,3-dimethyl-1-(methylthio)-

USES

用途与制造

来源：PubChem

General Manufacturing Information

2-Butanone, 3,3-dimethyl-1-(methylthio)-: INACTIVE

ALIASES

名称与别名

共 18 条

39199-12-72-Butanone, 3,3-dimethyl-1-(methylthio)-EINECS 254-348-5DTXSID9068164RefChem:467382DTXCID90396043,3-dimethyl-1-(methylsulfanyl)butan-2-one3,3-Dimethyl-1-methylthio-2-butanone3,3-Dimethyl-1-(methylthio)butan-2-one3,3-dimethyl-1-methylsulfanylbutan-2-one3,3-dimethyl-1-methylmercapto-2-butanoneSCHEMBL2180107CHEBI:38563PBA19912AKOS010085091NS00030539EN300-99368Q27117900

REACTIONS

参与反应

16 条

uspto-grants-1978_12 · 10.6084/m9.figshare.5104873.v1 · US04128581

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uspto-grants-1980_11 · 10.6084/m9.figshare.5104873.v1 · US04234514

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uspto-grants-1980_11 · 10.6084/m9.figshare.5104873.v1 · US04234514

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uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04154732

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uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04154732

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uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04154733

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uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04154733

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uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04154944

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