4-Hydroxy-2-(Methylthio)-6-(Trifluoromethyl)Pyrimidine 6-三氟甲基-4-羟基-2-甲硫基嘧啶

CAS 16097-62-4 MFCD00153191

化学结构图

16097-62-4
SMILES: CSC1N=C(C=C(O)N=1)C(F)(F)F

化学属性

Mol. FormulaC6H5F3N2OS
Mol. Weight210
Melting Point177.0 to 182.0 deg-C
Density1.422
TSCANo

别名和识别编码

Chemical Name4-Hydroxy-2-(Methylthio)-6-(Trifluoromethyl)Pyrimidine
CAS Number16097-62-4
Alfabeta NameMETHYLSULFANYLTRIFLUOROMETHYLPYRIMIDINOL 264(())-----
MDL NumberMFCD00153191
Synonym 2-Methylthio-6-(trifluoromethyl)-4-pyrimidinol 6-三氟甲基-4-羟基-2-甲硫基嘧啶
PubChem Substance ID354334389
EC Number250-023-7
Beilstein Registry Number2384789
Chemical Name Translation6-三氟甲基-4-羟基-2-甲硫基嘧啶
Reaxys-RN8617406
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分类

  • {KO} Alcohols
  • Building Blocks, C6 to C8, Chemical Synthesis, Heterocyclic Building Blocks, Pyrimidines
  • {SNA} Building Blocks, C6 to C8, Chemical Synthesis, Heterocyclic Building Blocks, Pyrimidines

安全信息

Warnings IRRITANT
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
GHS Symbol
Safety Statements
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S37 Wear suitable gloves 戴适当手套；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements

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
1
H-bond Donors
1
LogP
2

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrimidines 嘧啶
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrimidines 嘧啶
  5. C6 to C8 - Pyrimidines

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