6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium
Basic information
- CAS
89923-56-8- Standard SMILES
COc1ccc2c(c1)sc(N=NN(C)c1ccc([N+](=O)[O-])cc1)[n+]2C- InChIKey
YLNKSBNIQQLVTR-UHFFFAOYSA-N- Molecular formula
- C16H16N5O3S+
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.09738556
Names & identifiers
- Preferred name
- 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium
- IUPAC
- N-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methyl-4-nitroaniline
- English name
- 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium
- Molecular weight
- 0
Names & synonyms
89923-56-86-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-BenzothiazoliumDTXSID80275810YLNKSBNIQQLVTR-UHFFFAOYSA-N6-METHOXY-3-METHYL-2-[3-METHYL-3-(4-NITROPHENYL)TRIAZ-1-EN-1-YL]-1,3-BENZOTHIAZOL-3-IUM
Database identifiers
- CAS
89923-56-8- PubChem CID
- 84732
- DTXSID
DTXSID80275810
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 495
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Related reactions
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Compound notes
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