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Guanidine Sulfate

CAT: 0127-OR1013443-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1013443-01Size:25 g
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CAS Number
594-14-9
MDL Number
MFCD00013115
Purity
99%
Smiles
NC(=N)N.NC(=N)N.OS(=O)(=O)O

Chemical Information

Guanidinium sulfate
CAS Number594-14-9
PubChem CID2735051
IUPAC Namebis(guanidine);sulfuric acid
Molecular FormulaC2H12N6O4S
Molecular Weight216.22
Topological Polar Surface Area235
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity108
SMILES
C(=N)(N)N.C(=N)(N)N.OS(=O)(=O)O
InChI
InChI=1S/2CH5N3.H2O4S/c2*2-1(3)4;1-5(2,3)4/h2*(H5,2,3,4);(H2,1,2,3,4)
InChIKey
UYAKTBUPMOOXNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Guanidinium sulfate
CAS: 594-14-9
CID: 2735051
Formula: C2H12N6O4S
MW: 216.22
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.22
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass216.06407406
Monoisotopic Mass216.06407406
Topological Polar Surface Area235 Ų
Heavy Atom Count13
Formal Charge0
Complexity108
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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