Basic information
- CAS
14295-46-6- Standard SMILES
Cc1ccc2nc(N=Nc3c(O)ccc4ccccc34)sc2c1- InChIKey
YBEKDJHRAMRTGE-UHFFFAOYSA-N- Molecular formula
- C18H13N3OS
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.07793322
Names & identifiers
- Preferred name
- 1-[(6-Methylbenzothiazol-2-YL)azo]-2-naphthol
- IUPAC
- 1-[(6-methyl-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol
- English name
- 1-[(6-methylbenzothiazol-2-yl)azo]-2-naphthol
- Molecular formula
- C18H13N3OS
- Molecular weight
- 319.38
Names & synonyms
14295-46-61-[(6-METHYLBENZOTHIAZOL-2-YL)AZO]-2-NAPHTHOL1-[(6-methyl-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol1-((6-Methylbenzothiazol-2-yl)azo)-2-naphtholEINECS 238-223-2YBEKDJHRAMRTGE-UHFFFAOYSA-NDTXSID901200464AKOS001571295NS000548371-[2-(6-Methyl-2-benzothiazolyl)diazenyl]-2-naphthalenol1-(6-methyl-2-benzthiazolylazo)-naphthalen-2-ol1-[(6-Methylbenzothiazol-2-yl)azo]-2-naphthalenol
Database identifiers
- CAS
14295-46-6- PubChem CID
- 84331
- DTXSID
DTXSID901200464- EC Number
- 238-223-2
- Nikkaji
- J216.946K
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- Melting point
- 310 · 310-312 °C(Solvent: Ethanol)
- Boiling point
- 534.161 · 534.161±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.369 · 1.369±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.528 · 8.528±0.50(predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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