5-(4-CHLORO-1-ETHYL-1H-PYRAZOL-3-YL)-4-(TETRAHYDRO-FURAN-2-YLMETHYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
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5-(4-CHLORO-1-ETHYL-1H-PYRAZOL-3-YL)-4-(TETRAHYDRO-FURAN-2-YLMETHYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
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CAS No:
1005623-31-3
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Formula:
C12H16ClN5OS
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Chemical Name:
5-(4-CHLORO-1-ETHYL-1H-PYRAZOL-3-YL)-4-(TETRAHYDRO-FURAN-2-YLMETHYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
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Synonyms:
ART-CHEM-BB B008258;AKOS B008258;5-(4-CHLORO-1-ETHYL-1H-PYRAZOL-3-YL)-4-(TETRAHYDRO-FURAN-2-YLMETHYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
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CAS No:
5-(4-CHLORO-1-ETHYL-1H-PYRAZOL-3-YL)-4-(TETRAHYDRO-FURAN-2-YLMETHYL)-4H-[1,2,4]TRIAZOLE-3-THIOL Basic Attributes
313.81
313.076
Computed Properties
Molecular Weight:313.81
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:313.0764090
Monoisotopic Mass:313.0764090
Topological Polar Surface Area:86.8
Heavy Atom Count:20
Complexity:421
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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