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MCR

Summary
Name:SULFANYLACETIC ACID
Synonyms:MERCAPTOACETIC ACID
Formula:C2 H4 O2 S
Formal charge:0
Formula weight:92.117 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04sulfanylacetic acid
OpenEye OEToolkits1.5.02-sulfanylethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CS
SMILES_CANONICALCACTVS3.341OC(=O)CS
SMILESCACTVS3.341OC(=O)CS
SMILES_CANONICALOpenEye OEToolkits1.5.0C(C(=O)O)S
SMILESOpenEye OEToolkits1.5.0C(C(=O)O)S
InChIInChI1.03InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)
InChIKeyInChI1.03CWERGRDVMFNCDR-UHFFFAOYSA-N

225158

PDB entries from 2024-09-18

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