Products Categories
CAS No.: | 15139-21-6 |
---|---|
Name: | thionitrobenzoic acid |
Article Data: | 46 |
Molecular Structure: | |
Formula: | C7H5NO4S |
Molecular Weight: | 199.187 |
Synonyms: | 2-Nitro-5-mercaptobenzoicacid;2-Nitro-5-thiobenzoic acid;2-Nitro-5-thiolbenzoic acid;3-Carboxy-4-nitrobenzenethiol;5-Mercapto-2-nitrobenzoic acid; |
Density: | 1.575 g/cm3 |
Boiling Point: | 419.2 °C at 760 mmHg |
Flash Point: | 207.4 °C |
PSA: | 121.92000 |
LogP: | 2.10490 |
5,5'-dithiobis-(2-nitrobenzoic acid)
5-thio-2-nitrobenzoic acid
Conditions | Yield |
---|---|
With sodium tetrahydroborate In ethanol; water at 0 - 20℃; | 97% |
With dithionite(2-); cetyltrimethylammonim bromide In water Kinetics; Equilibrium constant; further reagents, catalysts; | |
With 2-(N,N-dimethylamino)ethanol; 2-mercaptoethylamine hydrochloride In water at 25℃; for 1h; Yield given; |
5-thio-2-nitrobenzoic acid
Conditions | Yield |
---|---|
With hydrogenchloride; 2-amino-2-hydroxymethyl-1,3-propanediol; diothiothreitol In water at 20℃; for 2h; pH=8; | 55% |
5,5'-dithiobis-(2-nitrobenzoic acid)
A
5-thio-2-nitrobenzoic acid
Conditions | Yield |
---|---|
In water at 25℃; Rate constant; spectroscopic method, variation of the pH: the rate constant for the thiol-disulfide exchange (kSH) and for the thiolate ion-disulfide exchange (Ks-) as well as the activation energy were determined; |
L-Cysteine
5-(2-cyanoethyldithio)-2-nitrobenzoic acid
A
5-thio-2-nitrobenzoic acid
Conditions | Yield |
---|---|
With sodium phosphate buffer In ethanol Rate constant; |
N-Acetylcysteine
5,5'-dithiobis-(2-nitrobenzoic acid)
Conditions | Yield |
---|---|
In water at 25℃; Rate constant; spectroscopic method, variation of the pH: the rate constant for the thiol-disulfide exchange (kSH) and for the thiolate ion-disulfide exchange (Ks-) as well as the activation energy were determined; |
DL-Penicillamin
5,5'-dithiobis-(2-nitrobenzoic acid)
A
5-thio-2-nitrobenzoic acid
Conditions | Yield |
---|---|
In water at 25℃; Rate constant; spectroscopic method, variation of the pH: the rate constant for the thiol-disulfide exchange (kSH) and for the thiolate ion-disulfide exchange (Ks-) as well as the activation energy were determined; |
5,5’-dithiobis(2-nitrobenzoate)
A
5-thio-2-nitrobenzoic acid
B
3-carboxylate-4-nitrothiophenoxide ion
Conditions | Yield |
---|---|
With sodium dithionite; di-C18 vesicles; Tris buffer; potassium chloride at 25℃; Rate constant; also Di-C16 vesicles, also laced with varying ammounts cholesterol; |
5,5'-dithiobis-(2-nitrobenzoic acid)
L-cysteine ethylester
A
5-thio-2-nitrobenzoic acid
Conditions | Yield |
---|---|
In water at 25℃; Rate constant; spectroscopic method, variation of the pH: the rate constant for the thiol-disulfide exchange (kSH) and for the thiolate ion-disulfide exchange (Ks-) as well as the activation energy were determined; |
A
5-thio-2-nitrobenzoic acid
B
acrylonitrile
Conditions | Yield |
---|---|
hydroxide In water; dimethyl sulfoxide at 25℃; Rate constant; elimination, other base; |
A
5-thio-2-nitrobenzoic acid
B
1,2-Dicyanoethylene
Conditions | Yield |
---|---|
piperidine In water; dimethyl sulfoxide at 25℃; Rate constant; elimination, other bases; |
What can I do for you?
Get Best Price
The Thionitrobenzoic acid, with the CAS registry number 15139-21-6, is also known as 5-Mercapto-2-nitrobenzoate. This chemical's molecular formula is C7H5NO4S and molecular weight is 199.1839. Its systematic name is called 2-nitro-5-sulfanylbenzoic acid.
Physical properties of Thionitrobenzoic acid: (1)ACD/LogP: 2.30; (2)ACD/LogD (pH 5.5): -1.38; (3)ACD/LogD (pH 7.4): -1.84; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.682; (12)Molar Refractivity: 47.9 cm3; (13)Molar Volume: 126.4 cm3; (14)Surface Tension: 76.1 dyne/cm; (15)Density: 1.575 g/cm3; (16)Flash Point: 207.4 °C; (17)Enthalpy of Vaporization: 70.94 kJ/mol; (18)Boiling Point: 419.2 °C at 760 mmHg; (19)Vapour Pressure: 8.87E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(cc(S)cc1)C(=O)O
(2)InChI: InChI=1/C7H5NO4S/c9-7(10)5-3-4(13)1-2-6(5)8(11)12/h1-3,13H,(H,9,10)
(3)InChIKey: GANZODCWZFAEGN-UHFFFAOYAP