6-Hydroxy-2-(Methylthio)Pyrimidine-4-Carboxylic Acid 6-羟基-2-(甲基磺酰基)-4-嘧啶羧酸

CAS 6314-14-3 MFCD00023236

化学结构图

6314-14-3
SMILES: CSc1nc(C(=O)O)cc(=O)[nH]1

化学属性

Mol. FormulaC6H6N2O3S
Mol. Weight186.19

别名和识别编码

Chemical Name6-Hydroxy-2-(Methylthio)Pyrimidine-4-Carboxylic Acid
CAS Number6314-14-3
Alfabeta NameHYDROXYMETHYLSULFANYLPYRIMIDINECARBOXYLICACID 624()-----
MDL NumberMFCD00023236
Chemical Name Translation6-羟基-2-(甲基磺酰基)-4-嘧啶羧酸
Synonym 2-(Methylthio)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid {LY} 2-(Methylthio)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid {} {LY} 2-(Methylthio)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid {} {} {LY} 2-(Methylthio)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid {} {} {} {LY} 2-(Methylthio)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid {} {} {} {} {LY} 2-(Methylthio)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid {} {} {} {} {} {LY} 2-(Methylthio)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid {} {} {} {} {} {} {LY} 2-(Methylthio)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid {} {} {} {} {} {} {} {LY} 2-(Methylthio)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid {} {} {} {} {} {} {} {} {LY} 2-(Methylthio)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 2-(Methylthio)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-(Methylthio)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid {} {} {} {} {} {} {} {} {} {}
LabNetwork Molecule IDLN00156674
PubChem Substance ID135473005
InChIInChI=1S/C6H6N2O3S/c1-12-6-7-3(5(10)11)2-4(9)8-6/h2H,1H3,(H,10,11)(H,7,8,9)
Canonical SMILESO=C1N=C(SC)NC(C(O)=O)=C1
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分类

  • {KO} HeteroArylOH
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

药物吸收、分布、代谢与排泄(ADME)

H-bond Acceptors
5
Lipinski's Rule of 5
Y
LogP
1
Rotatable Bonds
2
H-bond Donors
2

系列性分类

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