Products for Research Use Only
RegisterLogin

Theophylline impurity 9 (Standard)

CAT: 0804-HY-W087424RSize: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-W087424RSize:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
2-Hydroxyethyl 4-methylbenzenesulfonate (Standard) is the analytical standard of 2-Hydroxyethyl 4-methylbenzenesulfonate. This product is intended for research and analytical applications.
CAS Number
42772-85-0
UNSPSC
12352005
Target
Reference Standards
Related Pathways
Others
Smiles
O=S(C1=CC=C(C)C=C1)(OCCO)=O
Molecular Formula
C9H12O4S
Molecular Weight
216.26
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

2-((4-Methylbenzenesulfonyl)oxy)ethan-1-ol
CAS Number42772-85-0
PubChem CID249155
IUPAC Name2-hydroxyethyl 4-methylbenzenesulfonate
Molecular FormulaC9H12O4S
Molecular Weight216.26
XLogP0.8
Topological Polar Surface Area72
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity246
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCO
InChI
InChI=1S/C9H12O4S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5,10H,6-7H2,1H3
InChIKey
DZVSAHOHDQUFMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((4-Methylbenzenesulfonyl)oxy)ethan-1-ol
CAS: 42772-85-0
CID: 249155
Formula: C9H12O4S
MW: 216.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.26
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass216.04563003
Monoisotopic Mass216.04563003
Topological Polar Surface Area72 Ų
Heavy Atom Count14
Formal Charge0
Complexity246
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

Related Products

CatalogName
HY-W087424-01Theophylline impurity 9
HY-B0809R-01Theophylline (Standard)
HY-76816R-01Paricalcitol impurity 9 (Standard)
HY-Z10677RVortioxetine impurity 9 (Standard)
HY-Z0380R-01Iluoridine impurity 9 (Standard)
HY-Z0128R-01Nintedanib impurity 9 (Standard)
HY-I0192R-01Cinacalcet impurity 9 (Standard)
HY-W173257-01Theophylline EP impurity C
HY-B0809-01Theophylline
HY-B0809S-01Theophylline-d6

Alternative Products

CatalogName
CS-EO-03219Theophylline Impurity 6
RM-T081535-01Theophylline Impurity 9
RM-T081530-01Theophylline Impurity 4
RM-T081537-01Theophylline Impurity 12
RM-T081545-01Theophylline Impurity 19
AR-T04752-01Theophylline Impurity 20
AR-T04761-01Theophylline Impurity 27
AR-T04754-01Theophylline Impurity 1
RM-T081528-01Theophylline Impurity 2
AR-T04767-01Theophylline Impurity 24

Popular Products