ChemSpider 2D Image | MFCD00214141 | C18H18N4O6S4

MFCD00214141

  • Molecular FormulaC18H18N4O6S4
  • Average mass514.619 Da
  • Monoisotopic mass514.010925 Da
  • ChemSpider ID4710733
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2Z,2'Z)-2,2'-[(1Z,2Z)-1,2-Hydrazindiyliden]bis(3-ethyl-2,3-dihydro-1,3-benzothiazol-6-sulfonsäure) [German] [ACD/IUPAC Name]
(2Z,2'Z)-2,2'-[(1Z,2Z)-1,2-Hydrazinediylidene]bis(3-ethyl-2,3-dihydro-1,3-benzothiazole-6-sulfonic acid) [ACD/IUPAC Name]
6-Benzothiazolesulfonic acid, 2,2'-[(1Z,2Z)-1,2-hydrazinediylidene]bis[3-ethyl-2,3-dihydro-, (2Z,2'Z)- [ACD/Index Name]
Acide (2Z,2'Z)-2,2'-[(1Z,2Z)-1,2-hydrazinediylidène]bis(3-éthyl-2,3-dihydro-1,3-benzothiazole-6-sulfonique) [French] [ACD/IUPAC Name]
MFCD00214141
(2Z)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid
(2Z,2'Z)-2,2'-(hydrazine-1,2-diylidene)bis(3-ethyl-2,3-dihydrobenzo[d]thiazole-6-sulfonic acid)
2,2'-(Hydrazine-1,2-diylidene)bis(3-ethyl-2,3-dihydrobenzo[d]thiazole-6-sulfonic acid)
2,2′-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid)
2,2′-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A3219_SIGMA [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.774
Molar Refractivity: 125.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.99
ACD/LogD (pH 5.5): -3.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 77.9±7.0 dyne/cm
Molar Volume: 301.5±7.0 cm3

Click to predict properties on the Chemicalize site






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