Basic information
- CAS
41426-11-3- Standard SMILES
CCOS(=O)(=O)[O-].CCSc1sc2ccc3ccccc3c2[n+]1CC- InChIKey
IFWXWPGIVCIFJW-UHFFFAOYSA-M- Molecular formula
- C17H21NO4S3
- Average molar mass
- 399.6 g/mol
- Monoisotopic mass
- 399.06327167
Names & identifiers
- Preferred name
- Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1)
- IUPAC
- 1-ethyl-2-ethylsulfanylbenzo[e][1,3]benzothiazol-1-ium;ethyl sulfate
- English name
- ethyl 1-ethyl-2-(ethylthio)naphtho[1,2-d]thiazolium sulphate
- Molecular formula
- C17H21NO4S3
- Molecular weight
- 399.54
Names & synonyms
41426-11-3EINECS 255-360-3Naphtho(1,2-d)thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfateNaphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfateDTXSID1068308Naphtho(1,2-d)thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1)Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1)RefChem:164688DTXCID7039911IFWXWPGIVCIFJW-UHFFFAOYSA-MEthyl 1-ethyl-2-(ethylthio)naphtho(1,2-d)thiazolium sulphateNS00056817
Show more names
ethyl 1-ethyl-2-(ethylthio)naphtho[1,2-d]thiazolium sulphate
1-ethyl-2-(ethylsulfanyl)naphtho[1,2-d][1,3]thiazol-1-ium ethyl sulfate
Database identifiers
- CAS
41426-11-3- PubChem CID
- 170503
- DTXSID
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- EPA Substance Registry System
- 1 · Naphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (41426-11-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNaphtho[1,2-d]thiazolium, 1-ethyl-2-(ethylthio)-, ethyl sulfate (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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