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Di-sec-Butylsulfate

CAT: 1596-AR-S10999-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S10999-01Size:10 Units
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CAS Number
63231-73-2
Synonyms
Di-sec-butyl sulfate
Molecular Formula
C8H18O4S
Molecular Weight
210.29
API Name
Sulfate

Chemical Information

Di-sec-butyl sulfate
CAS Number63231-73-2
PubChem CID54019629
IUPAC Namedibutan-2-yl sulfate
Molecular FormulaC8H18O4S
Molecular Weight210.29
XLogP2.3
Topological Polar Surface Area61
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count13
Formal Charge0
Complexity199
SMILES
CCC(C)OS(=O)(=O)OC(C)CC
InChI
InChI=1S/C8H18O4S/c1-5-7(3)11-13(9,10)12-8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKey
KYAMUOMYFJTMPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Di-sec-butyl sulfate
CAS: 63231-73-2
CID: 54019629
Formula: C8H18O4S
MW: 210.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.29
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass210.09258022
Monoisotopic Mass210.09258022
Topological Polar Surface Area61 Ų
Heavy Atom Count13
Formal Charge0
Complexity199
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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