ChemSpider 2D Image | 7-Benzothiazolesulfonic acid, 2-[4-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]phenyl]-6-methyl- | C24H17N3O7S3

7-Benzothiazolesulfonic acid, 2-[4-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]phenyl]-6-methyl-

  • Molecular FormulaC24H17N3O7S3
  • Average mass555.603 Da
  • Monoisotopic mass555.022888 Da
  • ChemSpider ID20130499

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(4-((1-Hydroxy-4-sulfo-2-naphthyl)diazenyl)phenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid
2-[4-[2-(1-Hydroxy-4-sulfo-2-naphthalenyl)diazenyl]phenyl]-6-methyl-7-benzothiazolesulfonic acid
2-{4-[(E)-(1-Hydroxy-4-sulfo-2-naphthyl)diazenyl]phenyl}-6-methyl-1,3-benzothiazol-7-sulfonsäure [German] [ACD/IUPAC Name]
2-{4-[(E)-(1-Hydroxy-4-sulfo-2-naphthyl)diazenyl]phenyl}-6-methyl-1,3-benzothiazole-7-sulfonic acid [ACD/IUPAC Name]
25188-09-4 [RN]
7-Benzothiazolesulfonic acid, 2-[4-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]phenyl]-6-methyl-
7-Benzothiazolesulfonic acid, 2-[4-[(E)-2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]phenyl]-6-methyl- [ACD/Index Name]
Acide 2-{4-[(E)-(1-hydroxy-4-sulfo-2-naphtyl)diazényl]phényl}-6-méthyl-1,3-benzothiazole-7-sulfonique [French] [ACD/IUPAC Name]
2-[4-[(1-Hydroxy-4-sulfo-2-naphthalenyl)azo]phenyl]-6-methyl-7-benzothiazolesulfonic acid, 9CI
2-{4-[(E)-2-(1-hydroxy-4-sulfonaphthalen-2-yl)diazen-1-yl]phenyl}-6-methyl-1,3-benzothiazole-7-sulfonic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C.I. 14780 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.767
Molar Refractivity: 139.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.61
ACD/LogD (pH 5.5): -3.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 74.6±7.0 dyne/cm
Molar Volume: 336.0±7.0 cm3

Click to predict properties on the Chemicalize site


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