6-Benzothiazolesulfonic acid, 2-[2-[4-[[(2-chlorophenyl)methyl]ethylamino]-2-methylphenyl]diazenyl]-
Basic information
- CAS
65072-41-5- Standard SMILES
CCN(Cc1ccccc1Cl)c1ccc(N=Nc2nc3ccc(S(=O)(=O)O)cc3s2)c(C)c1- InChIKey
RAEKJFJPNAEJQQ-UHFFFAOYSA-N- Molecular formula
- C23H21ClN4O3S2
- Average molar mass
- 501 g/mol
- Monoisotopic mass
- 500.0743606
Names & identifiers
- Preferred name
- 6-Benzothiazolesulfonic acid, 2-[2-[4-[[(2-chlorophenyl)methyl]ethylamino]-2-methylphenyl]diazenyl]-
- IUPAC
- 2-[[4-[(2-chlorophenyl)methyl-ethylamino]-2-methylphenyl]diazenyl]-1,3-benzothiazole-6-sulfonic acid
- English name
- 2-[[4-[[(2-chlorobenzyl)]ethylamino]-o-tolyl]azo]benzothiazole-6-sulphonic acid
- Molecular formula
- C23H21ClN4O3S2
- Molecular weight
- 501.02
Names & synonyms
EINECS 265-371-52-((4-((2-Chlorobenzyl)ethylamino)-2-methylphenyl)azo)-6-benzothiazolesulfonic acid6-Benzothiazolesulfonic acid, 2-((4-(((2-chlorophenyl)methyl)ethylamino)-2-methylphenyl)azo)-6-Benzothiazolesulfonic acid, 2-[[4-[[(2-chlorophenyl)methyl]ethylamino]-2-methylphenyl]azo]-6-Benzothiazolesulfonic acid, 2-(2-(4-(((2-chlorophenyl)methyl)ethylamino)-2-methylphenyl)diazenyl)-6-Benzothiazolesulfonic acid, 2-[2-[4-[[(2-chlorophenyl)methyl]ethylamino]-2-methylphenyl]diazenyl]-RefChem:54044065072-41-5X48D4CXL5PDTXSID8070178RAEKJFJPNAEJQQ-UHFFFAOYSA-N2-((4-(((2-Chlorobenzyl))ethylamino)-o-tolyl)azo)benzothiazole-6-sulphonic acid
Show more names
2-[[4-[[(2-chlorobenzyl)]ethylamino]-o-tolyl]azo]benzothiazole-6-sulphonic acid2-[[4-[[(2-Chlorophenyl)methyl]ethylamino]-2-methylphenyl]azo]-6-benzothiazolesulfonic acid
2-[[4-[[(2-chlorobenzyl)]ethylamino]-o-tolyl]azo]benzothiazole-6-sulfonic acidNS000357852-[(4-{[(2-Chlorophenyl)methyl](ethyl)amino}-2-methylphenyl)diazenyl]-1,3-benzothiazole-6-sulfonic acid2-[2-[4-[[(2-Chlorophenyl)methyl]ethylamino]-2-methylphenyl]diazenyl]-6-benzothiazolesulfonic acid
Database identifiers
- CAS
65072-41-5- PubChem CID
- 103137
- DTXSID
DTXSID8070178- UNII
- X48D4CXL5P
- EC Number
- 265-371-5
- Nikkaji
- J283.154F
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 780
Physicochemical properties
- Density
- 1.419 · 1.419±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.495 · -0.495±0.40(predicted)
- EPA Substance Registry System
- 6 · 6-Benzothiazolesulfonic acid, 2-[[4-[[(2-chlorophenyl)methyl]ethylamino]-2-methylphenyl]azo]- (65072-41-5)
- 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 Information6-Benzothiazolesulfonic acid, 2-[2-[4-[[(2-chlorophenyl)methyl]ethylamino]-2-methylphenyl]diazenyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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