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QXB

Summary
Name:sulfolane
Synonyms:thiolane 1,1-dioxide
Formula:C4 H8 O2 S
Formal charge:0
Formula weight:120.17 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7thiolane 1,1-dioxide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2
InChIKeyInChI1.03HXJUTPCZVOIRIF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=[S]1(=O)CCCC1
SMILESCACTVS3.385O=[S]1(=O)CCCC1
SMILES_CANONICALOpenEye OEToolkits2.0.7C1CCS(=O)(=O)C1
SMILESOpenEye OEToolkits2.0.7C1CCS(=O)(=O)C1

222926

PDB entries from 2024-07-24

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