5-[2-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YL)-ETHYL]-4-ETHYL-4H-[1,2,4]TRIAZOLE-3-THIOL
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![5-[2-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YL)-ETHYL]-4-ETHYL-4H-[1,2,4]TRIAZOLE-3-THIOL structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2cb15214783b439a8c11a6d32062106b.png "5-[2-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YL)-ETHYL]-4-ETHYL-4H-[1,2,4]TRIAZOLE-3-THIOL")
5-[2-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YL)-ETHYL]-4-ETHYL-4H-[1,2,4]TRIAZOLE-3-THIOL
structure -
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CAS No:
1001756-32-6
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Formula:
C11H16N6O2S
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Chemical Name:
5-[2-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YL)-ETHYL]-4-ETHYL-4H-[1,2,4]TRIAZOLE-3-THIOL
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Synonyms:
5-[2-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-ethyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol;5-(2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-4-ethyl-4H-1,2,4-triazole-3-thiol;5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-ethyl-4H-1,2,4-triazole-3-thiol;CTK6E9065;ZINC2573486;BBL038419;MFCD03423545;SBB021123;STK306433;AKOS000305546
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CAS No:
5-[2-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YL)-ETHYL]-4-ETHYL-4H-[1,2,4]TRIAZOLE-3-THIOL Basic Attributes
296.35
296.106
Computed Properties
Molecular Weight:296.35
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:296.10554495
Monoisotopic Mass:296.10554495
Topological Polar Surface Area:123
Heavy Atom Count:20
Complexity:437
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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