Cas no 5693-15-2 (5-(3,5-dimethoxyphenyl)-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione)
5693-15-2 structure
Product Name:5-(3,5-dimethoxyphenyl)-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CAS No:5693-15-2
MF:C19H36O4
MW:328.486746788025
CID:1600299
Update Time:2024-08-29
5-(3,5-dimethoxyphenyl)-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione Chemical and Physical Properties
Names and Identifiers
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- 5-(3,5-dimethoxyphenyl)-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
- 4H-1,2,4-Triazole-3-thiol, 5-(3,5-dimethoxyphenyl)-4-(2-phenylethyl)-
- 3-(3,5-dimethoxyphenyl)-4-(2-phenylethyl)-1H-1,2,4-triazole-5-thione
- Butanedioic acid, 2-pentadecyl-
-
- Inchi： 1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(22)23)16-18(20)21/h17H,2-16H2,1H3,(H,20,21)(H,22,23)
- InChI Key： DNYVOGIDRRPZJT-UHFFFAOYSA-N
- SMILES： C(O)(=O)C(CCCCCCCCCCCCCCC)CC(O)=O
Computed Properties
- Exact Mass: 341.11997
- Monoisotopic Mass: 341.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 453
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
Experimental Properties
- Density: 1.23
- Melting Point: 104-105 °C
- Boiling Point: 486.4°C at 760 mmHg
- Flash Point: 248°C
- Refractive Index: 1.622
- PSA: 46.09
- pka: 4.55±0.19(Predicted)
5-(3,5-dimethoxyphenyl)-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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