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Cas Database |
| Name |
6-Benzothiazolesulfonicacid, 2,2'-(1,2-hydrazinediylidene)bis[3-ethyl-2,3-dihydro- |
EINECS | 250-396-6 |
| CAS No. | 28752-68-3 | Density | 1.7 g/cm3 |
| PSA | 216.56000 | LogP | 4.83040 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H18N4O6S4 | Boiling Point | 881.2°C at 760 mmHg |
| Molecular Weight | 514.628 | Flash Point | 486.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
6-Benzothiazolesulfonicacid, 2,2'-azinobis[3-ethyl-2,3-dihydro- (9CI);6-Benzothiazolinesulfonic acid,3-ethyl-2-oxo-, azine (7CI,8CI);2,2'-(3-Ethyl-6-sulfobenzothiazolinone) azine;2,2'-Azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid;2,2'-Azinobis(3-ethylbenzothiazoline-6-sulfonate);2,2'-Azinobis(3-ethylbenzothiazolone-6-sulfonic acid);2,2'-Azinobis[3-ethylbenzothiazoline-6-sulfonic acid];ABTS; |
Article Data | 1 |
6-Benzothiazolesulfonicacid, 2,2'-(1,2-hydrazinediylidene)bis[3-ethyl-2,3-dihydro- Specification
The CAS register number of 6-Benzothiazolesulfonicacid, 2,2'-(1,2-hydrazinediylidene)bis[3-ethyl-2,3-dihydro- is 28752-68-3. It also can be called as 2,2'-(3-Ethyl-6-sulfobenzothiazolinone) azine and the systematic name about this chemical is (2Z)-3-ethyl-2-[(2E)-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3H)-ylidene)hydrazono]-2,3-dihydro-1,3-benzothiazole-6-sulfonic acid. The molecular formula about this chemical is C18H18N4O6S4 and the molecular weight is 514.62.
Physical properties about 6-Benzothiazolesulfonicacid, 2,2'-(1,2-hydrazinediylidene)bis[3-ethyl-2,3-dihydro- are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 10; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 185.3 Å2; (7)Index of Refraction: 1.774; (8)Molar Refractivity: 125.78 cm3; (9)Molar Volume: 301.4 cm3; (10)Polarizability: 49.86x10-24cm3; (11)Surface Tension: 77.8 dyne/cm; (12)Density: 1.7 g/cm3.
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
(2)InChI: InChI=1/C18H18N4O6S4/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)/b19-17-,20-18+
(3)InChIKey: ZTOJFFHGPLIVKC-YAFCTCPEBW
(4)Std. InChI: InChI=1S/C18H18N4O6S4/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)/b19-17-,20-18+
(5)Std. InChIKey: ZTOJFFHGPLIVKC-YAFCTCPESA-N
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