7-Benzothiazolesulfonic acid, 2-[4-(5-amino-6-methyl-2-naphthalenyl)phenyl]-6-methyl-
Basic information
- CAS
65072-39-1- Standard SMILES
Cc1ccc2cc(-c3ccc(-c4nc5ccc(C)c(S(=O)(=O)O)c5s4)cc3)ccc2c1N- InChIKey
YQFLNILRSXUCDC-UHFFFAOYSA-N- Molecular formula
- C25H20N2O3S2
- Average molar mass
- 460.6 g/mol
- Monoisotopic mass
- 460.09153485
Names & identifiers
- Preferred name
- 7-Benzothiazolesulfonic acid, 2-[4-(5-amino-6-methyl-2-naphthalenyl)phenyl]-6-methyl-
- IUPAC
- 2-[4-(5-amino-6-methylnaphthalen-2-yl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
- English name
- 2-[4-(5-amino-6-methyl-2-naphthyl)phenyl]-6-methylbenzothiazole-7-sulphonic acid
- Molecular formula
- C25H20N2O3S2
- Molecular weight
- 460.57
Names & synonyms
EINECS 265-368-97-Benzothiazolesulfonic acid, 2-[4-(5-amino-6-methyl-2-naphthalenyl)phenyl]-6-methyl-DTXSID80701767-Benzothiazolesulfonic acid, 2-(4-(5-amino-6-methyl-2-naphthalenyl)phenyl)-6-methyl-RefChem:545484DTXCID004444665072-39-12-[4-(5-amino-6-methylnaphthalen-2-yl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid2-(4-(5-Amino-6-methylnaphthalen-2-yl)phenyl)-6-methylbenzo[d]thiazole-7-sulfonic acid2-(4-(5-Amino-6-methyl-2-naphthyl)phenyl)-6-methylbenzothiazole-7-sulphonic acidYQFLNILRSXUCDC-UHFFFAOYSA-NNS00035784
Show more names
2-[4-(5-amino-6-methyl-2-naphthyl)phenyl]-6-methylbenzothiazole-7-sulphonic acid2-[4-(5-Amino-6-methyl-2-naphthalenyl)phenyl]-6-methyl-7-benzothiazolesulfonic acid
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 764
Physicochemical properties
- EPA Substance Registry System
- 7 · 7-Benzothiazolesulfonic acid, 2-[4-(5-amino-6-methyl-2-naphthalenyl)phenyl]-6-methyl- (65072-39-1)
- 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 Information7-Benzothiazolesulfonic acid, 2-[4-(5-amino-6-methyl-2-naphthalenyl)phenyl]-6-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…