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3-Hydroxypropyl 4-methylbenzenesulfonate

CAT: 0804-HY-W572064Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W572064Size:1 Each
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Description
3-Hydroxypropyl 4-methylbenzenesulfonate (TOS-PR-OH) is a PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
81842-71-9
Product Name Alternative
TOS-PR-OH
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
PROTAC Linkers
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Smiles
O=S(=O)(OCCCO)C1=CC=C(C=C1)C
Molecular Formula
C10H14O4S
Molecular Weight
230.28
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

3-Hydroxypropyl 4-methylbenzenesulfonate
CAS Number81842-71-9
PubChem CID11961356
IUPAC Name3-hydroxypropyl 4-methylbenzenesulfonate
Molecular FormulaC10H14O4S
Molecular Weight230.28
XLogP1.1
Topological Polar Surface Area72
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity260
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCCO
InChI
InChI=1S/C10H14O4S/c1-9-3-5-10(6-4-9)15(12,13)14-8-2-7-11/h3-6,11H,2,7-8H2,1H3
InChIKey
GMWFPSPTDMITFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxypropyl 4-methylbenzenesulfonate
CAS: 81842-71-9
CID: 11961356
Formula: C10H14O4S
MW: 230.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.28
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass230.06128010
Monoisotopic Mass230.06128010
Topological Polar Surface Area72 Ų
Heavy Atom Count15
Formal Charge0
Complexity260
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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