4,5-Diphenyl-4H-1,2,4-triazole-3-thiol 4,5-二苯基-4H-1,2,4-三唑-3-硫醇
CAS 6596-82-3 MFCD00617763
化学结构图
SMILES: Sc1nnc(-c2ccccc2)n1-c1ccccc1
化学属性
| Mol. Formula | C14H11N3S |
|---|---|
| Mol. Weight | 253.32224 |
| Melting Point | 287 °C |
| Boiling Point | 367.9±25.0 °C at 760 mmHg |
别名和识别编码
| Chemical Name | 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol |
|---|---|
| CAS Number | 6596-82-3 |
| Alfabeta Name | DIPHENYLTRIAZOLETHIOL H4541243------,,, |
| MDL Number | MFCD00617763 |
| Chemical Name Translation | 4,5-二苯基-4H-1,2,4-三唑-3-硫醇 |
| LabNetwork Molecule ID | LN00123726 |
| PubChem Substance ID | 677540 |
| InChI | InChI=1S/C14H11N3S/c18-14-16-15-13(11-7-3-1-4-8-11)17(14)12-9-5-2-6-10-12/h1-10H,(H,16,18) |
| Synonym | 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,5 |
| Canonical SMILES | SC1=NN=C(C2=CC=CC=C2)N1C3=CC=CC=C3 |
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分类
- {KO} Thiols
安全信息
药物吸收、分布、代谢与排泄(ADME)
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
2
H-bond Donors
1
LogP
4
