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Azidoethyl-SS-ethylamine

CAT: 0127-OR1005635Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR1005635Size:1 Each
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CAS Number
1807512-40-8
Purity
98%
Smiles
NCCSSCCN=[N+]=[N-]

Chemical Information

Azidoethyl-SS-ethylamine
CAS Number1807512-40-8
PubChem CID102514881
IUPAC Name2-(2-azidoethyldisulfanyl)ethanamine
Molecular FormulaC4H10N4S2
Molecular Weight178.3
XLogP0.9
Topological Polar Surface Area91
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count10
Formal Charge0
Complexity112
SMILES
C(CSSCCN=[N+]=[N-])N
InChI
InChI=1S/C4H10N4S2/c5-1-3-9-10-4-2-7-8-6/h1-5H2
InChIKey
OCLWTYKOHAVGIZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azidoethyl-SS-ethylamine
CAS: 1807512-40-8
CID: 102514881
Formula: C4H10N4S2
MW: 178.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.3
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass178.03468868
Monoisotopic Mass178.03468868
Topological Polar Surface Area91 Ų
Heavy Atom Count10
Formal Charge0
Complexity112
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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