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Propargyl Tosylate

CAT: 0572-TRC-P766010-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P766010-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6165-76-0
Synonyms
2-Propyn-1-ol 4-Methylbenzenesulfonate; 2-Propyn-1-ol p-Toluenesulfonate; 1-[(p-Toluenesulfonyl)oxy]-2-propyne; 2-Propynyl p-Toluenesulfonate; 2-Propynyl Tosylate; Propargyl Alcohol Tosylate; p-Toluenesulfonic Acid Propargyl Ester
Hazard Statement
No Data Available
Smiles
Cc1ccc(cc1)S(=O)(=O)OCC#C
Molecular Formula
C10H10O3S
Molecular Weight
210.25
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

p-Toluenesulfonic acid, 2-propynyl ester
CAS Number6165-76-0
PubChem CID22547
IUPAC Nameprop-2-ynyl 4-methylbenzenesulfonate
Molecular FormulaC10H10O3S
Molecular Weight210.25
XLogP1.7
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity309
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC#C
InChI
InChI=1S/C10H10O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h1,4-7H,8H2,2H3
InChIKey
LMBVCSFXFFROTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Toluenesulfonic acid, 2-propynyl ester
CAS: 6165-76-0
CID: 22547
Formula: C10H10O3S
MW: 210.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.25
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass210.03506535
Monoisotopic Mass210.03506535
Topological Polar Surface Area51.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity309
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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