2-Methylthiazole-4-carboxylic acid 2-甲基-4-噻唑甲酸

CAS 35272-15-2 MFCD03407332

化学结构图

35272-15-2
SMILES: CC1=NC(=CS1)C(O)=O

化学属性

Mol. FormulaC5H5NO2S
Mol. Weight143.16
Melting Point145-150 °C
Density1.422

别名和识别编码

Chemical Name2-Methylthiazole-4-carboxylic acid
CAS Number35272-15-2
Alfabeta NameMETHYLTHIAZOLECARBOXYLICACID 2134-----,
MDL NumberMFCD03407332
EC Number250-023-7
Beilstein Registry Number2384789
Synonym 2-甲基-1,3-噻唑-4-羧酸 2-甲基噻唑-4-甲酸
Chemical Name Translation2-甲基-4-噻唑甲酸
PubChem Substance ID354333833
Reaxys-RN114102
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分类

  • {KO} CarboxylicAcids
  • {SNA} Building Blocks, C3 to C7, Chemical Synthesis, Heterocyclic Building Blocks, Thiazoles

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany2
Safety Statements
  • 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；
  • 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
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤

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
8.329000000000001e-001

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. Thiazoles 噻唑
  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. Thiazoles 噻唑
  5. C3 to C7 - Thiazoles
  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. Heterocyclic Acids 杂环酸
  5. Thiazole Acids

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