Basic information
- CAS
72749-73-6- Standard SMILES
CCN(CC[N+](C)(C)C)c1ccc(N=Nc2nc(-c3ccccc3)ns2)cc1.O=S(=O)([O-])[O-]- InChIKey
ZVVIGMZJYMRCAI-UHFFFAOYSA-L- Molecular formula
- C21H27N6O4S2-
- Average molar mass
- 491.6 g/mol
- Monoisotopic mass
- 491.15352071
Names & identifiers
- Preferred name
- Ethanaminium, 2-[ethyl[4-[2-(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl]amino]-N,N,N-trimethyl-, sulfate (1:1)
- IUPAC
- 2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]anilino]ethyl-trimethylazanium sulfate
Names & synonyms
EINECS 276-814-772749-73-6DTXSID60891052Ethanaminium, 2-(ethyl(4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)phenyl)amino)-N,N,N-trimethyl-, sulfate (1:1)2-(Ethyl(4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)-phenyl)amino)-N,N,N-trimethylethanaminium, hydrogen sulfateEthanaminium, 2-(ethyl(4-(2-(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl)phenyl)amino)-N,N,N-trimethyl-, sulfate (1:1)Ethanaminium, 2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]-N,N,N-trimethyl-, sulfate (1:1)Ethanaminium, 2-[ethyl[4-[2-(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl]amino]-N,N,N-trimethyl-, sulfate (1:1)RefChem:138054DTXCID501079182ZVVIGMZJYMRCAI-UHFFFAOYSA-L(2-(Ethyl(4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)phenyl)amino)ethyl)trimethylammonium hydrogen sulphate
Database identifiers
- CAS
72749-73-6- PubChem CID
- 175137
- DTXSID
DTXSID60891052- EC Number
- 276-814-7
Properties
Computed structural properties
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- -1
- Complexity
- 542
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Ethanaminium, 2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]-N,N,N-trimethyl-, sulfate (1:1)
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanaminium, 2-[ethyl[4-[2-(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl]amino]-N,N,N-trimethyl-, sulfate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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