4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-thiol
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4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-thiol
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CAS No:
505053-95-2
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Formula:
C12H7F3N2O2S
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Chemical Name:
4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-thiol
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Synonyms:
4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-thiol;2-pyrimidinethiol, 4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-;2-pyrimidinethiol, 4-(1,3-benzodioxol-5-yl)-6-(trifluorome;4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-pyrimidine-2-thione;4-Benzo[1,3]dioxol-5-yl-6-trifluoromethyl-pyrimidine-2-thiol;BAS 03153261;ST5269941;ZINC00268268
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CAS No:
Computed Properties
Molecular Weight:300.26
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:300.01803313
Monoisotopic Mass:300.01803313
Topological Polar Surface Area:74.9
Heavy Atom Count:20
Complexity:490
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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