2-Methyl-4-Thiocyanatophenol 2-甲基-4-硫氰基苯酚
CAS 3774-53-6 MFCD00086627
化学结构图
SMILES: Cc1cc(SC#N)ccc1O
化学属性
| Mol. Formula | C8 |
|---|---|
| Mol. Weight | 165 |
| Melting Point | 73-75° |
别名和识别编码
| Chemical Name | 2-Methyl-4-Thiocyanatophenol |
|---|---|
| CAS Number | 3774-53-6 |
| Alfabeta Name | HYDROXYMETHYLPHENYLTHIOCYANATE 43--- |
| MDL Number | MFCD00086627 |
| Synonym | 2-Methyl-4-(thiocyano)phenol 4-Hydroxy-3-methylphenyl Thiocyanate 4-Hydroxy-3-methylphenyl thiocyanate 4-Hydroxy-m-tolyl Thiocyanate 4-hydroxy-3-methylphenyl thiocyanate NSC 31040 NSC 4470 NSC 7392 Thiocyanic Acid 4-Hydroxy-3-methylphenyl Ester |
| Chemical Name Translation | 2-甲基-4-硫氰基苯酚 |
| PubChem Substance ID | 220928 |
| LabNetwork Molecule ID | LN00005573 |
| InChI | InChI=1S/C8H7NOS/c1-6-4-7(11-5-9)2-3-8(6)10/h2-4,10H,1H3 |
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分类
- Sulfur & Selenium Compounds
- Aromatics
- {KO} ArylOHs
- {SNA} Building Blocks, C6 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols, Sulfur Compounds, Thiocyanates/Isothiocyanates
产品应用
- Intermediate in the preparation of various benzotriazoles
安全信息
GHS Symbol
- R22 Harmful if swallowed 吞咽有害
- 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
2
Rotatable Bonds
1
H-bond Donors
1
LogP
2
