DQY

3-(dimethyl-lambda~4~-sulfanyl)propanoic acid

Created:2011-08-25
Last modified:  2011-08-25

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count0
Bond Count19
Aromatic Bond Count0
2D diagram of DQY

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Chemical Component Summary

Name3-(dimethyl-lambda~4~-sulfanyl)propanoic acid
Systematic Name (OpenEye OEToolkits)3-(dimethyl-$l^{4}-sulfanyl)propanoic acid
FormulaC5 H12 O2 S
Molecular Weight136.213
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CCS(C)C
SMILESCACTVS3.370C[SH](C)CCC(O)=O
SMILESOpenEye OEToolkits1.7.2CS(C)CCC(=O)O
Canonical SMILESCACTVS3.370 C[SH](C)CCC(O)=O
Canonical SMILESOpenEye OEToolkits1.7.2 CS(C)CCC(=O)O
InChIInChI1.03 InChI=1S/C5H12O2S/c1-8(2)4-3-5(6)7/h8H,3-4H2,1-2H3,(H,6,7)
InChIKeyInChI1.03 BBSYGEAKHYDEGI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 416901