ROS-IN-1

CAT: 0607-BA6207-10Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA6207-10Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

298193-11-0

Form

A solid

Molecular Formula

C13H17NO3S

Molecular Weight

267.34

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

1-[(2,4,6-Trimethylphenyl)sulfonyl]pyrrolidin-2-one

CAS Number	298193-11-0
PubChem CID	766932
IUPAC Name	1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-one
Molecular Formula	C13H17NO3S
Molecular Weight	267.35
XLogP	2
Topological Polar Surface Area	62.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	414

SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2=O)C

InChI

InChI=1S/C13H17NO3S/c1-9-7-10(2)13(11(3)8-9)18(16,17)14-6-4-5-12(14)15/h7-8H,4-6H2,1-3H3

InChIKey

UVXZHJFRFIKQMT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 298193-11-0

CID: 766932

Formula: C13H17NO3S

MW: 267.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.35
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	267.09291458
Monoisotopic Mass	267.09291458
Topological Polar Surface Area	62.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	414
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
C8439-10	ROS-generating agent 1
C8439-25	ROS-generating agent 1
C8439-5	ROS-generating agent 1
C8439-50	ROS-generating agent 1
B6931-50	ROS 234 dioxalate
B6931-10	ROS 234 dioxalate
K2066-96	Reactive Oxygen Species (ROS) Assay Kit (DHE)
N2864-5.1	1,1,1,1-Kestohexaose
N2864-100	1,1,1,1-Kestohexaose
N2864-1	1,1,1,1-Kestohexaose