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3,3′-Dithiobis(Succinimidyl Propionate)
CAS: 57757-57-0 | C14H16N2O8S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57757-57-0
Molecular Formula:
C14H16N2O8S2
Molecular Mass:
404.42 g/mol
Names and Synonyms:
3,3′-Dithiobis(Succinimidyl Propionate)
Propanoic acid, 3,3′-dithiobis-, 1,1′-bis(2,5-dioxo-1-pyrrolidinyl) ester
2,5-Pyrrolidinedione, 1,1′-[dithiobis[(1-oxo-3,1-propanediyl)oxy]]bis-
3,3′-Dithiobis(succinimidyl propionate)
DTSP
3,3′-Dithioldipropionic acid bis(N-hydroxysuccinimide ester)
NSC 328386
3,3′-Dithiobis(N-hydroxysuccinimidylpropionate)
3,3′-Dithio(succinimidyl propionate)
Bis[2-[(succinimidyloxy)carbonyl]ethyl] disulfide
Lomant's Reagent
Dithiobis(succimidylpropionate)
3,3′-Dithiodipropionic acid di(N-hydroxysuccinimide ester)
(2,5-Dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate
Disuccinimidyl 3,3′-dithiobis(propionate)
Identifiers:
SMILES:
O=C(CCSSCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChI:
InChI=1S/C14H16N2O8S2/c17-9-1-2-10(18)15(9)23-13(21)5-7-25-26-8-6-14(22)24-16-11(19)3-4-12(16)20/h1-8H2
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 | 404.42 g/mol | CAS Common Chemistry |
| 404.42200000000025 g/mol | RDKit | |
| 404.03480747199995 g/mol | RDKit | |
| Canonical SMILES | O=C(ON1C(=O)CCC1=O)CCSSCCC(=O)ON2C(=O)CCC2=O | CAS Common Chemistry |
| InChI | InChI=1S/C14H16N2O8S2/c17-9-1-2-10(18)15(9)23-13(21)5-7-25-26-8-6-14(22)24-16-11(19)3-4-12(16)20/h1-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FXYPGCIGRDZWNR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3,3′-Dithiobis(succinimidyl propionate) | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 127.35999999999999 Ų | RDKit |
| LogP | 0.36239999999999983 | RDKit |
| Molar Refractivity | 88.50800000000002 | RDKit |
