Basic information
- CAS
63148-84-5- Standard SMILES
CC(=O)N(C=CC=Cc1sc2cc3ccccc3cc2[n+]1CCC(C)S(=O)(=O)[O-])c1ccccc1- InChIKey
YHHPTGQMZQAZEW-UHFFFAOYSA-N- Molecular formula
- C27H26N2O4S2
- Average molar mass
- 506.6 g/mol
- Monoisotopic mass
- 506.13339966
Names & identifiers
- Preferred name
- naphtho(2,3-d)thiazolium, 2-(4-(acetylphenylamino)-1,3-butadien-1-yl)-3-(3-sulfobutyl)-, inner salt
- IUPAC
- 4-[2-[4-(N-acetylanilino)buta-1,3-dienyl]benzo[f][1,3]benzothiazol-3-ium-3-yl]butane-2-sulfonate
Names & synonyms
63148-84-5Naphtho[2,3-d]thiazolium, 2-[4-(acetylphenylamino)-1,3-butadienyl]-3-(3-sulfobutyl)-, inner saltEINECS 263-936-0Naphtho(2,3-d)thiazolium, 2-(4-(acetylphenylamino)-1,3-butadien-1-yl)-3-(3-sulfobutyl)-, inner saltNaphtho(2,3-d)thiazolium, 2-(4-(acetylphenylamino)-1,3-butadienyl)-3-(3-sulfobutyl)-, inner saltNaphtho[2,3-d]thiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-(3-sulfobutyl)-, inner saltRefChem:1647362-[4-(acetylanilino)-1,3-butadienyl]-3-(3-sulphonatobutyl)naphtho[2,3-d]thiazoliumYHHPTGQMZQAZEW-UHFFFAOYSA-NDTXSID901114637DB-2168834-(2-{4-[Acetyl(phenyl)amino]buta-1,3-dien-1-yl}naphtho[2,3-d][1,3]thiazol-3-ium-3-yl)butane-2-sulfonate
Database identifiers
- CAS
63148-84-5- PubChem CID
- 112588
- DTXSID
DTXSID901114637- EC Number
- 263-936-0
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 865
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNaphtho[2,3-d]thiazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-(3-sulfobutyl)-, inner salt: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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