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PDPH Crosslinker

CAT: 0013-GTR19193167-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193167-02Size:100 mg
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Description
PDPH Crosslinker
CAS Number
115616-51-8
Field of Research
Molecular Biology
Smiles
NNC (=O) CCSSc1ccccn1
Molecular Formula
C8H11N3OS2
Molecular Weight
229.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

S-(2-thiopyridyl)mercaptopropionohydrazide

carbohydrate-directed heterobifunctional agent for the synthesis of immunoconjugates; structure given in first source

CAS Number115616-51-8
PubChem CID130785
IUPAC Name3-(pyridin-2-yldisulfanyl)propanehydrazide
Molecular FormulaC8H11N3OS2
Molecular Weight229.3
XLogP0.2
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity180
SMILES
C1=CC=NC(=C1)SSCCC(=O)NN
InChI
InChI=1S/C8H11N3OS2/c9-11-7(12)4-6-13-14-8-3-1-2-5-10-8/h1-3,5H,4,6,9H2,(H,11,12)
InChIKey
NITXODYAMWZEJY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S-(2-thiopyridyl)mercaptopropionohydrazide
CAS: 115616-51-8
CID: 130785
Formula: C8H11N3OS2
MW: 229.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.3
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass229.03435433
Monoisotopic Mass229.03435433
Topological Polar Surface Area119 Ų
Heavy Atom Count14
Formal Charge0
Complexity180
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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