HCQ

[5-(aminomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide

Created:2018-12-03
Last modified:  2019-04-24

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Chemical Details

Formal Charge-1
Atom Count26
Chiral Atom Count0
Bond Count27
Aromatic Bond Count10
2D diagram of HCQ

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Chemical Component Summary

Name[5-(aminomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
Systematic Name (OpenEye OEToolkits)[5-(aminomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
FormulaC9 H11 B N O3 S
Molecular Weight224.065
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385NCc1ccc2sc(cc2c1)[B-](O)(O)O
SMILESOpenEye OEToolkits2.0.6[B-](c1cc2cc(ccc2s1)CN)(O)(O)O
Canonical SMILESCACTVS3.385 NCc1ccc2sc(cc2c1)[B-](O)(O)O
Canonical SMILESOpenEye OEToolkits2.0.6 [B-](c1cc2cc(ccc2s1)CN)(O)(O)O
InChIInChI1.03 InChI=1S/C9H11BNO3S/c11-5-6-1-2-8-7(3-6)4-9(15-8)10(12,13)14/h1-4,12-14H,5,11H2/q-1
InChIKeyInChI1.03 MOEIXULQWWCKOY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 137797036