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Tributylmethylphosphonium methyl sulfate

CAT: 1552-IN-0013-TG-0025Size: 25 gDry Ice: NoHazardous: No
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CAT#:1552-IN-0013-TG-0025Size:25 g
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CAS Number
69056-62-8
Product Name Alternative
IN 0013, 25 g
Purity
>95%
Molecular Formula
C14H33O4PS
Molecular Weight
328.45
IUPAC Name
Tributylmethylphosphonium methyl sulfate

Chemical Information

Tributyl(methyl)phosphonium methyl sulfate
CAS Number69056-62-8
PubChem CID16218793
IUPAC Namemethyl sulfate;tributyl(methyl)phosphanium
Molecular FormulaC14H33O4PS
Molecular Weight328.45
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count20
Formal Charge0
Complexity189
SMILES
CCCC[P+](C)(CCCC)CCCC.COS(=O)(=O)[O-]
InChI
InChI=1S/C13H30P.CH4O4S/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-5-6(2,3)4/h5-13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey
JMXOUHNHEFFQIW-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Tributyl(methyl)phosphonium methyl sulfate
CAS: 69056-62-8
CID: 16218793
Formula: C14H33O4PS
MW: 328.45
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.45
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass328.18371770
Monoisotopic Mass328.18371770
Topological Polar Surface Area74.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity189
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-237267Tributylmethylphosphonium methyl sulfate
sc-229552Tributylmethylphosphonium methyl carbonate solution
AR-S11018-01Methyl Sulfate
CS-T-91132Difenzoquat methyl sulfate
FN40361-01Neostigmine methyl sulfate
HY-B1206-01Neostigmine (methyl sulfate)
259866-01Amezinium Methyl Sulfate
440940-01Acryloyloxyethyldiethylmethylammonium Methyl Sulfate
B335000Bevonium Methyl Sulfate
AR-M03176-01Sodium Methyl Sulfate

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