Basic information
- CAS
19617-05-1- Standard SMILES
CCn1/c(=N\N=O)sc2ccccc21- InChIKey
JNINLGOLQGICPU-MDZDMXLPSA-N- Molecular formula
- C9H9N3OS
- Average molar mass
- 207.25 g/mol
- Monoisotopic mass
- 207.04663309
Names & identifiers
- Preferred name
- (NE)-N-(3-ethyl-1,3-benzothiazol-2-ylidene)nitrous amide
- IUPAC
- (NE)-N-(3-ethyl-1,3-benzothiazol-2-ylidene)nitrous amide
- English name
- ABTS
- Molecular formula
- C9H9N3OS
- Molecular weight
- 207.25
Names & synonyms
19617-05-1NSC150893(NE)-N-(3-ethyl-1,3-benzothiazol-2-ylidene)nitrous amideDTXSID00420926AKOS015917779NSC-150893N-[(2E)-3-Ethyl-1,3-benzothiazol-2(3H)-ylidene]nitrous amide3-ethyl-N-nitroso-2(3H)-Benzothiazolimine2(3H)-Benzothiazolimine, 3-ethyl-N-nitroso-(2E)-3-ethyl-N-nitroso-1,3-benzothiazol-2(3H)-imine
Database identifiers
- CAS
19617-05-1- PubChem CID
- 5772367
- DTXSID
DTXSID00420926
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Melting point
- 143 · 143-144 °C (decomp)
- Boiling point
- 336 · 336.0±25.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- -2.57 · -2.57±0.20(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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