Basic information
- CAS
16470-41-0- Standard SMILES
CCOC(=Cc1sc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)[O-])CC- InChIKey
ZYECOWRNUCPBQN-UHFFFAOYSA-N- Molecular formula
- C20H23NO4S2
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.10685056
Names & identifiers
- Preferred name
- naphtho(1,2-d)thiazolium, 2-(2-ethoxy-1-buten-1-yl)-1-(3-sulfopropyl)-, inner salt
- IUPAC
- 3-[2-(2-ethoxybut-1-enyl)benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
- English name
- 2-(2-ethoxy-1-butenyl)-1-(3-sulphonatopropyl)naphtho[1,2-d]thiazolium
- Molecular formula
- C20H23NO4S2
- Molecular weight
- 405.53
Names & synonyms
EINECS 240-522-816470-41-0Naphtho(1,2-d)thiazolium, 2-(2-ethoxy-1-buten-1-yl)-1-(3-sulfopropyl)-, inner saltNaphtho(1,2-d)thiazolium, 2-(2-ethoxy-1-butenyl)-1-(3-sulfopropyl)-, inner saltnaphtho[1,2-d]thiazolium, 2-(2-ethoxy-1-buten-1-yl)-1-(3-sulfopropyl)-, inner saltRefChem:1647023-[2-(2-ethoxybut-1-enyl)benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonateZYECOWRNUCPBQN-UHFFFAOYSA-N3-[2-(2-ethoxybut-1-enyl)benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonic acidNS000521852-(2-Ethoxy-1-butenyl)-1-(3-sulphonatopropyl)naphtho(1,2-d)thiazolium2-(2-ethoxy-1-butenyl)-1-(3-sulphonatopropyl)naphtho[1,2-d]thiazolium
Show more names
2-(2-Ethoxy-1-butenyl)-1-(3-sulfonatopropyl)naphtho[1,2-d]thiazol-1-ium
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 603
Physicochemical properties
- EPA Substance Registry System
- 1 · Naphtho[1,2-d]thiazolium, 2-(2-ethoxy-1-butenyl)-1-(3-sulfopropyl)-, inner salt (16470-41-0)
- 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, 2-(2-ethoxy-1-buten-1-yl)-1-(3-sulfopropyl)-, inner salt: ACTIVE
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…