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Guanidine Sulfamate

CAT: 0127-OR1013442-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1013442-01Size:25 g
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CAS Number
50979-18-5
MDL Number
MFCD00060261
Purity
90%
Smiles
C(=N)(N)N.NS(=O)(=O)O

Chemical Information

Sulfamic acid, compd. with guanidine (1:1)
CAS Number50979-18-5
PubChem CID170947
IUPAC Nameguanidine;sulfamic acid
Molecular FormulaCH8N4O3S
Molecular Weight156.17
Topological Polar Surface Area165
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity119
SMILES
C(=N)(N)N.NS(=O)(=O)O
InChI
InChI=1S/CH5N3.H3NO3S/c2-1(3)4;1-5(2,3)4/h(H5,2,3,4);(H3,1,2,3,4)
InChIKey
LNEUSAPFBRDCPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulfamic acid, compd. with guanidine (1:1)
CAS: 50979-18-5
CID: 170947
Formula: CH8N4O3S
MW: 156.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight156.17
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass156.03171130
Monoisotopic Mass156.03171130
Topological Polar Surface Area165 Ų
Heavy Atom Count9
Formal Charge0
Complexity119
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes