Basic information
- CAS
81466-91-3- Standard SMILES
Cc1c(O)c2ccccc2c2c1sc(NCCO)[n+]2C- InChIKey
NDMSSSOKNDYDRP-UHFFFAOYSA-O- Molecular formula
- C15H17N2O2S+
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.10107396
Names & identifiers
- Preferred name
- 2-((2-Hydroxyethyl)amino)-1,4-dimethyl-1lambda(5)-naphtho(1,2-d)(1,3)thiazol-5-ol
- IUPAC
- 2-(2-hydroxyethylamino)-1,4-dimethylbenzo[e][1,3]benzothiazol-1-ium-5-ol
Names & synonyms
81466-91-3NSC 3671552-((2-Hydroxyethyl)amino)-1,4-dimethyl-1lambda(5)-naphtho(1,2-d)(1,3)thiazol-5-olNSC3671552-((2-Hydroxyethyl)amino)-1,4-dimethyl-1.lambda.~5~-naphtho[1,2-d][1,3]thiazol-5-olCHEMBL1181260DTXSID90231124DS-0031872-(2-hydroxyethylamino)-1,4-dimethyl-benzo[e][1,3]benzothiazol-1-ium-5-ol5-HYDROXY-2-[(2-HYDROXYETHYL)AMINO]-1,4-DIMETHYLNAPHTHO[1,2-D][1,3]THIAZOL-1-IUM
Database identifiers
- CAS
81466-91-3- PubChem CID
- 435296
- DTXSID
DTXSID90231124- ChEMBL
CHEMBL1181260
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 1
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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