SPDP

CAT: 0127-BUP17998Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-BUP17998Size:1 Each

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

68181-17-9

Synonyms

SPDP Crosslinker

Purity

=98%

Smiles

O=C(CCSSc1ccccn1)ON1C(=O)CCC1=O

Chemical Information

N-Succinimidyl 3-(2-pyridyldithio)propionate

heterobifunctional reagent

CAS Number	68181-17-9
PubChem CID	100682
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate
Molecular Formula	C12H12N2O4S2
Molecular Weight	312.4
XLogP	0.7
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	20
Formal Charge	0
Complexity	376

SMILES

C1CC(=O)N(C1=O)OC(=O)CCSSC2=CC=CC=N2

InChI

InChI=1S/C12H12N2O4S2/c15-10-4-5-11(16)14(10)18-12(17)6-8-19-20-9-3-1-2-7-13-9/h1-3,7H,4-6,8H2

InChIKey

JWDFQMWEFLOOED-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 68181-17-9

CID: 100682

Formula: C12H12N2O4S2

MW: 312.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	312.4
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	312.02384922
Monoisotopic Mass	312.02384922
Topological Polar Surface Area	127 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	376
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes