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Methyl 4-methylbenzenesulfonate

CAT: 1596-AR-T02722-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T02722-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
80-48-8
Synonyms
P-Toluenesulfonic Acid Methyl Ester; Methyl 4-Methylbenzenesulfonate; Methyl p-Methylbenzenesulfonate; Methyl p-Tosylate; Methyl Toluene-4-sulfonate; Methyl Toluenesulfonate; Methyl Tosylate; NSC 406335; Toluene-4-sulfonic Acid Methyl Ester; p-Methylbenzenesulfonic Acid Methyl Ester
Molecular Formula
C8H10O3S
Molecular Weight
186.23
API Name
Tosylate

Chemical Information

Methyl p-toluenesulfonate

catalyst in dental impression; material Scutan causing contact dermatitis; structure

CAS Number80-48-8
PubChem CID6645
IUPAC Namemethyl 4-methylbenzenesulfonate
Molecular FormulaC8H10O3S
Molecular Weight186.23
XLogP2.2
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity219
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC
InChI
InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3
InChIKey
VUQUOGPMUUJORT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl p-toluenesulfonate
CAS: 80-48-8
CID: 6645
Formula: C8H10O3S
MW: 186.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.23
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass186.03506535
Monoisotopic Mass186.03506535
Topological Polar Surface Area51.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity219
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-Y0896S1Methyl 4-methylbenzenesulfonate-13C
sc-353229B(Diisopropoxyphosphoryl) methyl 4-methylbenzenesulfonate
HY-Y0896R-01Methyl 4-methylbenzenesulfonate (Standard)
OR1074968-01(4-Oxocyclohexyl) methyl 4-methylbenzenesulfonate
PC1008056-01(4,4-Difluorocyclohexyl) methyl 4-methylbenzenesulfonate
OR1057100-01(1-Cyanocyclopropyl) methyl 4-methylbenzenesulfonate
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AQ A1 0061-01(2-methyl-2-nitropropyl) 4-methylbenzenesulfonate
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