2-(2-Phenylthiazol-4-yl)acetic acid 2-苯基-4-噻唑乙酸
CAS 16441-28-4 MFCD01312954
化学结构图
SMILES: OC(=O)CC1=CSC(=N1)C1C=CC=CC=1
化学属性
| Mol. Formula | C11H9NO2S |
|---|---|
| Mol. Weight | 219.26 |
| Melting Point | 82 - 85 (°C) |
| TSCA | No |
别名和识别编码
| Chemical Name | 2-(2-Phenylthiazol-4-yl)acetic acid |
|---|---|
| CAS Number | 16441-28-4 |
| Alfabeta Name | PHENYLTHIAZOLYLACETICACID 22134()------, |
| MDL Number | MFCD01312954 |
| Synonym | 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid |
| Chemical Name Translation | 2-苯基-4-噻唑乙酸 |
| PubChem Substance ID | 329791614 |
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分类
- {SNA} Building Blocks, C10 to C11, Chemical Synthesis, Heterocyclic Building Blocks, Thiazoles
- {KO} CarboxylicAcids
安全信息
- 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；
- R22 Harmful if swallowed 吞咽有害
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
GHS Symbol
- H302 Harmful if swallowed 吞食有害
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
3
H-bond Donors
1
LogP
2
