4-Methyl-2-Phenyl-1,3-Thiazole-5-Carboxylic Acid 4-甲基-2-苯基-1,3-噻唑-5-羧酸
CAS 33763-20-1 MFCD00141955
化学结构图
SMILES: CC1N=C(SC=1C(O)=O)C1C=CC=CC=1
化学属性
| Mol. Formula | C11H9NO2S |
|---|---|
| Mol. Weight | 219 |
| Melting Point | 219-221 |
| Density | 1.422 |
| TSCA | No |
别名和识别编码
| Chemical Name | 4-Methyl-2-Phenyl-1,3-Thiazole-5-Carboxylic Acid |
|---|---|
| CAS Number | 33763-20-1 |
| Alfabeta Name | METHYLPHENYLTHIAZOLECARBOXYLICACID 42135-------, |
| MDL Number | MFCD00141955 |
| EC Number | 250-023-7 |
| Beilstein Registry Number | 2384789 |
| Synonym | 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid |
| Chemical Name Translation | 4-甲基-2-苯基-1,3-噻唑-5-羧酸 |
| PubChem Substance ID | 329789486 |
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分类
- {SNA} Building Blocks, C10 to C11, Chemical Synthesis, Heterocyclic Building Blocks, Thiazoles
- {KO} CarboxylicAcids
安全信息
GHS Symbol
- S22 Do not breathe dust 不要吸入粉尘；
- 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；
- S37 Wear suitable gloves 戴适当手套；
- 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；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- 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。
- P305+P351+P338
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
2
H-bond Donors
1
LogP
2
