Basic information
- CAS
38901-82-5- Standard SMILES
CCN(CCO)c1ccc(N=Nc2sc3cc(OC)ccc3[n+]2C)cc1- InChIKey
ZZJJYUNNNYLVAR-UHFFFAOYSA-N- Molecular formula
- C19H23N4O2S+
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.15417216
Overview
See other relationships...
Names & identifiers
- Preferred name
- 2-[4-(2-Hydroxyethyl ethylamino)phenylazo]-3-methyl-6-methoxybenzothiazole
- IUPAC
- 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethanol
Names & synonyms
SCHEMBL5772477SCHEMBL5772480CHEMBL1182664DTXSID00860101ZZJJYUNNNYLVAR-UHFFFAOYSA-N38901-82-5NS000133772-[4-(2-Hydroxyethyl ethylamino)phenylazo]-3-methyl-6-methoxybenzothiazole2-({4-[Ethyl(2-hydroxyethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium
Database identifiers
- CAS
38901-82-5- PubChem CID
- 83009
- DTXSID
DTXSID00860101- ChEMBL
CHEMBL1182664- Nikkaji
- J239.187B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…