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Rubeanic Acid 98% AR

CAT: 1507-02262 00005Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1507-02262 00005Size:5 mg
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CAS Number
79-40-3

Chemical Information

Dithiooxamide

indicator for copper, cobalt, & nickel; structure

CAS Number79-40-3
PubChem CID2777982
IUPAC Nameethanedithioamide
Molecular FormulaC2H4N2S2
Molecular Weight120.20
XLogP-0.4
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity75
SMILES
C(=S)(C(=S)N)N
InChI
InChI=1S/C2H4N2S2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)
InChIKey
OAEGRYMCJYIXQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dithiooxamide
CAS: 79-40-3
CID: 2777982
Formula: C2H4N2S2
MW: 120.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight120.20
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass119.98159048
Monoisotopic Mass119.98159048
Topological Polar Surface Area116 Ų
Heavy Atom Count6
Formal Charge0
Complexity75.5
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