2-pyridin-2-ylethyl carbamimidothioate
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2-pyridin-2-ylethyl carbamimidothioate
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CAS No:
75362-22-0
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Formula:
C8H11N3S
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Chemical Name:
2-pyridin-2-ylethyl carbamimidothioate
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Synonyms:
Carbamimidothioic acid, 2-(2-pyridinyl)ethyl ester;75362-22-0;NSC45869;NSC-45869;NCIStruc1_000633;NCIStruc2_000381;CHEMBL1448488;SCHEMBL14970178;NCI45869;ZINC3954015;CCG-37729;NCGC00013554;AKOS014546462;2-(2-pyridinyl)ethyl imidothiocarbamate;NCGC00013554-02;NCGC00096667-01;NCI60_004083;L-2127
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CAS No:
Computed Properties
Molecular Weight:181.26
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:181.06736854
Monoisotopic Mass:181.06736854
Topological Polar Surface Area:88.1
Heavy Atom Count:12
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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