RCSB PDB - HV2 Ligand Summary Page

HV2

1,1-bis(oxidanylidene)thietan-3-ol

Created: 2018-12-19
Last modified:  2019-03-27

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Chemical Details

Formal Charge0
Atom Count13
Chiral Atom Count0
Bond Count13
Aromatic Bond Count0
2D diagram of HV2

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Chemical Component Summary

Name1,1-bis(oxidanylidene)thietan-3-ol
Systematic Name (OpenEye OEToolkits)1,1-bis(oxidanylidene)thietan-3-ol
FormulaC3 H6 O3 S
Molecular Weight122.143
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385OC1C[S](=O)(=O)C1
SMILESOpenEye OEToolkits2.0.6C1C(CS1(=O)=O)O
Canonical SMILESCACTVS3.385 OC1C[S](=O)(=O)C1
Canonical SMILESOpenEye OEToolkits2.0.6 C1C(CS1(=O)=O)O
InChIInChI1.03 InChI=1S/C3H6O3S/c4-3-1-7(5,6)2-3/h3-4H,1-2H2
InChIKeyInChI1.03 CIUZABLJPXPIFC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 265635
CCDC/CSD HYTHIO