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Mesna Impurity 7

CAT: 1299-RM-M051907-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M051907-03Size:50 mg
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CAS Number
543-18-0
Synonyms
2-guanidinoethane-1-sulfonic acid
Molecular Formula
C3H9N3O3S
Molecular Weight
167.18
Target Alternative Name
Mesna
Product Name Synonym
2-guanidinoethane-1-sulfonic acid

Chemical Information

2-((Aminoiminomethyl)amino)ethanesulfonic acid

Taurocyamine is the N-amidino derivative of taurine. It is a member of guanidines and an organosulfonic acid. It is functionally related to a taurine. It is a tautomer of a taurocyamine zwitterion.

CAS Number543-18-0
PubChem CID68340
IUPAC Name2-(diaminomethylideneamino)ethanesulfonic acid
Molecular FormulaC3H9N3O3S
Molecular Weight167.19
XLogP-2.4
Topological Polar Surface Area127
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity210
SMILES
C(CS(=O)(=O)O)N=C(N)N
InChI
InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)
InChIKey
JKLRIMRKZBSSED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((Aminoiminomethyl)amino)ethanesulfonic acid
CAS: 543-18-0
CID: 68340
Formula: C3H9N3O3S
MW: 167.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.19
XLogP3-2.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass167.03646233
Monoisotopic Mass167.03646233
Topological Polar Surface Area127 Ų
Heavy Atom Count10
Formal Charge0
Complexity210
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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