2-BUTANESULFONIC ACID

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J758K2X590
EPA CompTox DTXSID6041395

Structure

InChI Key BRXCDHOLJPJLLT-UHFFFAOYSA-N
Smiles CCC(C)[S](O)(=O)=O
InChI
InChI=1S/C4H10O3S/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10O3S1
Molecular Weight 138.04
AlogP 0.67
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 54.37
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 16794-12-0
NORMAN SUSDAT
FDA SRS J758K2X590
CONTENTS