Mesna Related Compound A

CAT: 1596-AR-M03692-01Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M03692-01Size:25 Units

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CAS Number

2820170-85-0

Synonyms

2- (Acetylthio) ethane-1-sulfonic acid, potassium salt, crystal adduct with potassium chloride

Molecular Formula

C4H8O4S2.ClK.K

Molecular Weight

297.89

API Name

Mesna

Chemical Information

2-(Acetylthio)ethanesulfonic acid

CAS Number	2820170-85-0
PubChem CID	11644039
IUPAC Name	2-acetylsulfanylethanesulfonic acid
Molecular Formula	C4H8O4S2
Molecular Weight	184.2
XLogP	-0.5
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	200

SMILES

CC(=O)SCCS(=O)(=O)O

InChI

InChI=1S/C4H8O4S2/c1-4(5)9-2-3-10(6,7)8/h2-3H2,1H3,(H,6,7,8)

InChIKey

KODOIOCJZCCYHX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2820170-85-0

CID: 11644039

Formula: C4H8O4S2

MW: 184.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.2
XLogP3	-0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	183.98640108
Monoisotopic Mass	183.98640108
Topological Polar Surface Area	105 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	200
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
AR-M01466-01	Mesna
AR-M04263-01	Mesna-d4
AR-M04261-01	Mesna Impurity 3
AR-M01458-01	Mesna EP Impurity A
AR-I01991-01	Itraconazole Related Compound
AR-E02272-01	Exemestane Related Compound
AR-E11093-01	Eluxadoline Related Compound A
AR-C05341-01	Donepezil Related Compound A
AR-D01942-01	Diphenhydramine Related Compound
AR-D05962-01	Diethyltoluamide Related Compound A

Catalog	Name
CS-EG-03533	Tramadol Related Compound A
LBA32143-01	Naphazoline Related Compound A
KCA72991-01	Trimethoprim Related Compound A
IH181667-01	Hyoscyamine related compound A
FCA19889-01	Clonazepam related compound A
GAA53882-01	Levocarnitine Related Compound A
GAA34172-01	Flurbiprofen Related Compound A
ABA45153-01	Felbamate Related Compound A
CS-CY-00056	Travoprost Related Compound A
CS-O-14111	Tranylcypromine Related Compound A