Basic information
- CAS
3012-50-8- Standard SMILES
Oc1ccc2ccccc2c1N=Nc1nc2ccccc2s1- InChIKey
NXFVJTJWPUVTKK-UHFFFAOYSA-N- Molecular formula
- C17H11N3OS
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.06228316
Overview
See also: 1-(2-Benzothiazolylazo)-2-naphthol (annotation moved to).
Names & identifiers
- Preferred name
- 2-Naphthalenol, 1-(2-(2-benzothiazolyl)diazenyl)-
- IUPAC
- 1-(1,3-benzothiazol-2-yldiazenyl)naphthalen-2-ol
- English name
- 1-(2-benzothiazolylazo)-2-naphthol
- Molecular formula
- C17H11N3OS
- Molecular weight
- 305.35
Names & synonyms
2-Naphthalenol, 1-(2-(2-benzothiazolyl)diazenyl)-2-Naphthalenol, 1-[2-(2-benzothiazolyl)diazenyl]-RefChem:4770693012-50-81-(2-Benzothiazolylazo)-2-naphthol2-Naphthalenol, 1-(2-benzothiazolylazo)-1-(1,3-benzothiazol-2-yldiazenyl)naphthalen-2-olEINECS 221-145-81-2-(Benzothiazolylazo)-2-naphthol1-((2-Benzothiazolyl)azo)-2-naphthol1-(2-Benzothiazolylazo)-2-naphthalenol2-((2-Hydroxy-1-naphthalenyl)azo)benzothiazole
Show more names
1-[(Benzothiazol-2-yl)azo]-2-naphthalenol1-(Benzothiazole-2-ylazo)naphthalene-2-ol
benzothiazolylazo-beta-naphtholSCHEMBL9326025SCHEMBL9326031DTXSID3062786NXFVJTJWPUVTKK-FMQUCBEESA-NNXFVJTJWPUVTKK-UHFFFAOYSA-N2-(2-hydroxy-1-naphthylazo)benzothiazoleNS00047502
Database identifiers
- CAS
3012-50-8
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 419
Physicochemical properties
- Boiling point
- 524 · 524.0±52.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 8.52 · 8.52±0.50(Predicted)
- EPA Substance Registry System
- 2 · 2-Naphthalenol, 1-(2-benzothiazolylazo)- (3012-50-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenol, 1-[2-(2-benzothiazolyl)diazenyl]-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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