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YC5

Summary
Name:4-azanyl-3-fluoranyl-benzenethiol
Formula:C6 H6 F N S
Formal charge:0
Formula weight:143.182 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-azanyl-3-fluoranyl-benzenethiol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C6H6FNS/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
InChIKeyInChI1.06MAOWDGRYXPTHRM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ccc(S)cc1F
SMILESCACTVS3.385Nc1ccc(S)cc1F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1S)F)N
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1S)F)N

222415

数据于2024-07-10公开中

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