Mesna Impurity 6

CAT: 1299-RM-M051906-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M051906-02Size:25 mg

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CAS Number

1823982-49-5

Synonyms

2- ((carbamimidoylcarbamoyl) thio) ethanesulfonic acid

Molecular Formula

C4H9N3O4S2

Molecular Weight

227.26

Target Alternative Name

Mesna

Product Name Synonym

2- ((carbamimidoylcarbamoyl) thio) ethanesulfonic acid

Chemical Information

2-((Carbamimidoylcarbamoyl)thio)ethanesulfonic acid

CAS Number	1823982-49-5
PubChem CID	155896117
IUPAC Name	2-(diaminomethylidenecarbamoylsulfanyl)ethanesulfonic acid
Molecular Formula	C4H9N3O4S2
Molecular Weight	227.3
XLogP	-1
Topological Polar Surface Area	170
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	300

SMILES

C(CS(=O)(=O)O)SC(=O)N=C(N)N

InChI

InChI=1S/C4H9N3O4S2/c5-3(6)7-4(8)12-1-2-13(9,10)11/h1-2H2,(H,9,10,11)(H4,5,6,7,8)

InChIKey

LUZSWZVYJVZDFY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1823982-49-5

CID: 155896117

Formula: C4H9N3O4S2

MW: 227.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.3
XLogP3	-1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	227.00344812
Monoisotopic Mass	227.00344812
Topological Polar Surface Area	170 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	300
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-M04261-01	Mesna Impurity 3
AR-M01458-01	Mesna EP Impurity A
AR-M01457-01	Mesna EP Impurity B
AR-M01459-01	Mesna EP Impurity C
AR-M01456-01	Mesna EP Impurity E
AR-M01460-01	Mesna EP Impurity D
AR-M04264-01	Mesna EP Impurity E Sodium Salt
A8469-10000	Mesna