Back to Search
N-Succinimidyl 3-(2-Pyridyldithio)Propionate
CAS: 68181-17-9 | C12H12N2O4S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
68181-17-9
Molecular Formula:
C12H12N2O4S2
Molecular Mass:
312.37 g/mol
Names and Synonyms:
N-Succinimidyl 3-(2-Pyridyldithio)Propionate
Propanoic acid, 3-(2-pyridinyldithio)-, 2,5-dioxo-1-pyrrolidinyl ester
2,5-Pyrrolidinedione, 1-[1-oxo-3-(2-pyridinyldithio)propoxy]-
N-Succinimidyl 3-(2-pyridyldithio)propionate
SPDP
N-Hydroxysuccinimidyl 3-(2-pyridyldithio)propionate
3-(2-Pyridyldithio)propionic acid N-hydroxysuccinimide ester
NSC 344485
NSC 677449
Succinimidyl 3-[[(2-pyridyl)thio]thio]propionate
SPDP-OSu
N-Succinimidyl 3-(pyridyldithio)propionate
(2,5-Dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate
Succinimidyl 3-[(2-pyridyl)dithio]propionate
Identifiers:
SMILES:
O=C(CCSSc1ccccn1)ON1C(=O)CCC1=O
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 312.37 g/mol | CAS Common Chemistry |
| 312.3720000000002 g/mol | RDKit | |
| 312.02384886399994 g/mol | RDKit | |
| Canonical SMILES | O=C(ON1C(=O)CCC1=O)CCSSC2=NC=CC=C2 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=JWDFQMWEFLOOED-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Succinimidyl 3-(2-pyridyldithio)propionate | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 76.57 Ų | RDKit |
| LogP | 1.8191999999999997 | RDKit |
| Molar Refractivity | 74.34800000000003 | RDKit |
