Basic information
- CAS
63148-83-4- Standard SMILES
CC(CC[n+]1c(C=CC=CNc2ccccc2)sc2cc3ccccc3cc21)S(=O)(=O)[O-]- InChIKey
DKXSAABHHCPLME-UHFFFAOYSA-N- Molecular formula
- C25H24N2O3S2
- Average molar mass
- 464.6 g/mol
- Monoisotopic mass
- 464.12283498
Names & identifiers
- Preferred name
- naphtho(2,3-d)thiazolium, 2-(4-(phenylamino)-1,3-butadien-1-yl)-3-(3-sulfobutyl)-, inner salt
- IUPAC
- 4-[2-(4-anilinobuta-1,3-dienyl)benzo[f][1,3]benzothiazol-3-ium-3-yl]butane-2-sulfonate
Names & synonyms
EINECS 263-935-563148-83-4Naphtho(2,3-d)thiazolium, 2-(4-(phenylamino)-1,3-butadienyl)-3-(3-sulfobutyl)-, inner saltNaphtho(2,3-d)thiazolium, 2-(4-(phenylamino)-1,3-butadien-1-yl)-3-(3-sulfobutyl)-, inner saltNaphtho[2,3-d]thiazolium, 2-[4-(phenylamino)-1,3-butadienyl]-3-(3-sulfobutyl)-, inner saltNaphtho[2,3-d]thiazolium, 2-[4-(phenylamino)-1,3-butadien-1-yl]-3-(3-sulfobutyl)-, inner saltRefChem:1647372-[4-(phenylamino)-1,3-butadienyl]-3-(3-sulphonatobutyl)naphtho[2,3-d]thiazolium2-(4-(Phenylamino)-1,3-butadienyl)-3-(3-sulphonatobutyl)naphtho(2,3-d)thiazoliumDB-216885NS00055237
Database identifiers
- CAS
63148-83-4- PubChem CID
- 112586
- EC Number
- 263-935-5
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 744
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNaphtho[2,3-d]thiazolium, 2-[4-(phenylamino)-1,3-butadien-1-yl]-3-(3-sulfobutyl)-, inner salt: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…