Diammonium 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonate) supplier

Name
Diammonium 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonate)
EINECS 250-396-6
CAS No. 30931-67-0
Density
Solubility 50 mg/mL in water
Melting Point
Formula C₁₈H₁₆N₄O₆S₄^.2(NH₄)
Boiling Point 881.2 °C at 760 mmHg
Molecular Weight 548.689
Flash Point 486.7 °C
Transport Information
Appearance Light green powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 6-Benzothiazolesulfonicacid, 2,2'-azinobis[3-ethyl-2,3-dihydro-, diammonium salt (9CI);6-Benzothiazolinesulfonic acid, 3-ethyl-2-oxo-, azine, diammonium salt (8CI);2,2'-Azino-bis-(3-ethyl-benzthiazoline-6-sulfonate) diammonium salt;2,2'-Azinobis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt;ABTSdiammonium salt;
PSA 223.04000
LogP 5.47820

Diammonium 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonate) Specification

The Diammonium 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonate) with the CAS number 30931-67-0 is also called 6-Benzothiazolesulfonicacid, 2,2'-(1,2-hydrazinediylidene)bis[3-ethyl-2,3-dihydro-, ammonium salt(1:2). The IUPAC name is diazanium(2Z)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonate. Its EINECS registry number is 250-396-6. The molecular formula is C₁₈H₁₆N₄O₆S₄^.2(NH₄). This chemical belongs to the following product categories: (1)Biochemistry; (2)Enzyme; (3)Substrates. It should be stored at RT.

The properties of the chemical are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 207.3 Å²; (13)Enthalpy of Vaporization: 134.17 kJ/mol; (14)Vapour Pressure: 2.97×10^-33 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]S(=O)(=O)c1ccc2N(C(\Sc2c1)=N\N=C4/Sc3cc(ccc3N4CC)S([O-])(=O)=O)CC.[NH4+].[NH4+]
(2)InChI: InChI=1/C18H18N4O6S4.2H3N/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18;;/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28);2*1H3/b19-17-,20-18-;;
(3)InChIKey: OHDRQQURAXLVGJ-AXMZSLBLBT

Product Name

Diammonium 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonate)

Diammonium 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonate) Specification

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