(4-nitrophenyl)methyl carbamimidothioate
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(4-nitrophenyl)methyl carbamimidothioate
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CAS No:
946-50-9
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Formula:
C8H9N3O2S
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Chemical Name:
(4-nitrophenyl)methyl carbamimidothioate
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Synonyms:
4-nitrobenzyl carbamimidothioate;(4-nitrophenyl)methyl carbamimidothioate;946-50-9;s-(4-nitro-benzyl)-isothiourea;CHEMBL1224396;2-(4-nitrobenzyl)isothiourea;CBDivE_002213;SCHEMBL1708732;CHEMBL1229107;2-(4-Nitro-benzyl)-isothiourea;ALBB-023123;ZINC4014085;BDBM50325546;AKOS000649451;MCULE-7820979736;[(4-nitrophenyl)methyl]thiocarboxamidine;NCGC00341369-01;S-(4-Nitrobenzyl)isothiourea hydrochloride;R1632;ST45026115;AB01332959-02;carbamimidothioic acid, (4-nitrophenyl)methyl ester, hydrobromide;8SJ
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CAS No:
Computed Properties
Molecular Weight:211.24
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:211.04154771
Monoisotopic Mass:211.04154771
Topological Polar Surface Area:121
Heavy Atom Count:14
Complexity:221
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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