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| CAS No.: | 57757-57-0 |
|---|---|
| Name: | 3,3'-DITHIODIPROPIONIC ACID DI(N-SUCCINIMIDYL ESTER) |
| Article Data: | 16 |
| Molecular Structure: | |
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|
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| Formula: | C14H16N2O8S2 |
| Molecular Weight: | 404.422 |
| Synonyms: | 2,5-Pyrrolidinedione,1,1'-[dithiobis[(1-oxo-3,1-propanediyl)oxy]]bis- (9CI);3,3'-Dithio(succinimidylpropionate);3,3'-Dithiobis(N-hydroxysuccinimidylpropionate);3,3'-Dithiobis(succinimidyl propionate);3,3'-Dithioldipropionic acidbis(N-hydroxysuccinimide ester);Bis[2-[(succinimidyloxy)carbonyl]ethyl]disulfide;DTSP;NSC 328386; |
| EINECS: | 260-931-5 |
| Density: | 1.57 g/cm3 |
| Melting Point: | 128-133°C |
| Boiling Point: | 560.1 °C at 760 mmHg |
| Flash Point: | 292.6 °C |
| Appearance: | powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 177.96000 |
| LogP: | 0.23820 |
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di(succinimido) carbonate
- 1119-62-6
3,3'-dithiobis(propionic acid)
- 57757-57-0
3,3'-dithiodipropionic acid, bis(succinimido) ester
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane at 20℃; | 93% |
- 6066-82-6
1-hydroxy-pyrrolidine-2,5-dione
- 1119-62-6
3,3'-dithiobis(propionic acid)
- 57757-57-0
3,3'-dithiodipropionic acid, bis(succinimido) ester
| Conditions | Yield |
|---|---|
| With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 2h; | 85% |
| With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 15h; | 78% |
| With carbodiimide hydrochloric acid salt In dichloromethane at 20℃; for 24h; | 73% |
- 6066-82-6
1-hydroxy-pyrrolidine-2,5-dione
- 107-96-0
3-mercaptopropionic acid
- 57757-57-0
3,3'-dithiodipropionic acid, bis(succinimido) ester
| Conditions | Yield |
|---|---|
| Inert atmosphere; |
- 57757-57-0
3,3'-dithiodipropionic acid, bis(succinimido) ester
- 109-73-9
N-butylamine
- 927-42-4
3,3'-disulfanediylbis(N-butylpropanamide)
| Conditions | Yield |
|---|---|
| In methanol at 20℃; for 24h; | 97% |
- 57757-57-0
3,3'-dithiodipropionic acid, bis(succinimido) ester
- 57260-71-6
1-t-Butoxycarbonylpiperazine
- 1271773-90-0
di-tert-butyl 4,4'-(3,3'-disulfanediylbis(propanoyl))bis(piperazine-1-carboxylate)
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 3h; | 94% |
| Conditions | Yield |
|---|---|
| Stage #1: 3,3'-dithiodipropionic acid, bis(succinimido) ester; C49H97NO45P4 In aq. phosphate buffer; dimethyl sulfoxide at 20℃; pH=7.4; Stage #2: With 1,4-dithio-D,L-threitol In aq. phosphate buffer; dimethyl sulfoxide at 40℃; for 2h; | 88% |
- 57757-57-0
3,3'-dithiodipropionic acid, bis(succinimido) ester
| Conditions | Yield |
|---|---|
| With sodium hydroxide In chloroform; water for 0.5h; pH=10; | 85% |
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 20℃; for 12h; | 83.5% |
- 57757-57-0
3,3'-dithiodipropionic acid, bis(succinimido) ester
| Conditions | Yield |
|---|---|
| In dichloromethane | 81% |
| In dichloromethane for 48h; Heating; | 55% |
- 57757-57-0
3,3'-dithiodipropionic acid, bis(succinimido) ester
- 1202964-95-1
C17H31N7O4
- 1202964-98-4
C40H68N14O10S2
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 20℃; for 12h; | 80% |
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Specification
The 3,3'-Dithiodipropionic acid di(N-hydroxysuccinimide ester), with the CAS registry number 57757-57-0 and EINECS registry number 260-931-5, has the systematic name of 1,1'-{disulfanediylbis[(1-oxopropane-3,1-diyl)oxy]}dipyrrolidine-2,5-dione. It belongs to the following product categories: N-Substituted Maleimides, Succinimides & Phthalimides; N-Substituted Succinimides. And the molecular formula of the chemical is C14H16N2O8S2.
The characteristics of this chemical are as followings: (1)ACD/LogP: -1.66; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.66; (4)ACD/LogD (pH 7.4): -1.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.98; (8)ACD/KOC (pH 7.4): 2.98; (9)#H bond acceptors: 10; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 177.96 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 90.76 cm3; (15)Molar Volume: 256.8 cm3; (16)Polarizability: 35.98×10-24cm3; (17)Surface Tension: 77.1 dyne/cm; (18)Density: 1.57 g/cm3; (19)Flash Point: 292.6 °C; (20)Enthalpy of Vaporization: 84.26 kJ/mol; (21)Boiling Point: 560.1 °C at 760 mmHg; (22)Vapour Pressure: 1.41E-12 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2N(OC(=O)CCSSCCC(=O)ON1C(=O)CCC1=O)C(=O)CC2
(2)InChI: InChI=1/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
(3)InChIKey: FXYPGCIGRDZWNR-UHFFFAOYAD