4-(Methylsulfonyl)Acetophenone 4-甲砜基苯乙酮

CAS 10297-73-1 MFCD00025072

化学结构图

10297-73-1
SMILES: CC(=O)C1=CC=C(C=C1)S(C)(=O)=O

化学属性

Mol. FormulaC9H10O3S
Mol. Weight198
Melting Point126-129
TSCANo

别名和识别编码

Chemical Name4-(Methylsulfonyl)Acetophenone
CAS Number10297-73-1
Alfabeta NameMETHYLSULFONYLPHENYLETHANONE 141[]()----
MDL NumberMFCD00025072
Synonym 4′-(甲磺酰)苯乙酮 1-[4-(Methylsulfonyl)phenyl]ethan-1-one 4-(甲磺酰)苯乙酮 NSC 403928 1-[4-(Methylsulfonyl)phenyl]ethan-1-one
PubChem Substance ID24874680
EC Number233-672-0
Chemical Name Translation4-甲砜基苯乙酮
Beilstein Registry Number2047891
Reaxys-RN2047891
LabNetwork Molecule IDLN00119271
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分类

  • {KO} Ketones
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfones, Sulfur Compounds

安全信息

Warnings IRRITANT
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
GHS Symbol
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
2
H-bond Donors
0
LogP
5.001000000000000e-001

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Sulfones - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Thiols/Mercaptans - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C9 - Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Sulfonates/Sulfinates
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids
  6. C8

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