3-(Phenylthio)Propanoic Acid 3-苯硫基丙酸

CAS 5219-65-8 MFCD00215509

化学结构图

5219-65-8
SMILES: O=C(O)CCSc1ccccc1

化学属性

Mol. FormulaC9H10O2S
Mol. Weight182.2395
Melting Point53-55 °C
Boiling Point184 °C at 10 mmHg

别名和识别编码

Chemical Name3-(Phenylthio)Propanoic Acid
CAS Number5219-65-8
Alfabeta NamePHENYLSULFANYLPROPANOICACID 3()-
MDL NumberMFCD00215509
Synonym 3-(Phenylthio)propanoic acid {LY} 3-(Phenylthio)propanoic acid {} {LY} 3-(Phenylthio)propanoic acid {} {} {LY} 3-(Phenylthio)propanoic acid {} {} {} {LY} 3-(Phenylthio)propanoic acid {} {} {} {} {LY} 3-(Phenylthio)propanoic acid {} {} {} {} {} {LY} 3-(Phenylthio)propanoic acid {} {} {} {} {} {} {LY} 3-(Phenylthio)propanoic acid {} {} {} {} {} {} {} {LY} 3-(Phenylthio)propanoic acid {} {} {} {} {} {} {} {} {LY} 3-(Phenylthio)propanoic acid {} {} {} {} {} {} {} {} {} {LY} 3-(Phenylthio)propanoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-(Phenylthio)propanoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Phenylthio)propanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Phenylthio)propanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Phenylthio)propanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Phenylthio)propanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Phenylthio)propanoic a
Chemical Name Translation3-苯硫基丙酸
LabNetwork Molecule IDLN00144106
PubChem Substance ID222492
InChIInChI=1S/C9H10O2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
Canonical SMILESO=C(O)CCSC1=CC=CC=C1
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分类

  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
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)

Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
4
H-bond Donors
1
LogP
1

系列性分类

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