S-ethyl 1-cyano-1H-isoquinoline-2-carbothioate
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S-ethyl 1-cyano-1H-isoquinoline-2-carbothioate
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CAS No:
17954-38-0
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Formula:
C13H12N2OS
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Chemical Name:
S-ethyl 1-cyano-1H-isoquinoline-2-carbothioate
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Synonyms:
17954-38-0;s-ethyl 1-cyanoisoquinoline-2(1h)-carbothioate;NSC148791;DTXSID80302099;NSC-148791
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CAS No:
S-ethyl 1-cyano-1H-isoquinoline-2-carbothioate Basic Attributes
244.31 g/mol
244.06703418 g/mol
148791
DTXSID80302099
Computed Properties
Molecular Weight:244.31
XLogP3:2.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:244.06703418
Monoisotopic Mass:244.06703418
Topological Polar Surface Area:69.4
Heavy Atom Count:17
Complexity:371
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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