1-Ethyl-2-(3-(1-ethylnaphtho(1,2-d)thiazolin-2-ylidene)-2-methylpropenyl)naphtho(1,2-d)thiazolium chloride
Basic information
- CAS
989-77-5- Standard SMILES
CCN1/C(=C/C(C)=C\c2sc3ccc4ccccc4c3[n+]2CC)Sc2ccc3ccccc3c21.[Cl-]- InChIKey
RQOJAEOLGNQGJD-UHFFFAOYSA-M- Molecular formula
- C30H27ClN2S2
- Average molar mass
- 515.1 g/mol
- Monoisotopic mass
- 514.1304189
Overview
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Names & identifiers
- Preferred name
- 1-Ethyl-2-(3-(1-ethylnaphtho(1,2-d)thiazolin-2-ylidene)-2-methylpropenyl)naphtho(1,2-d)thiazolium chloride
- IUPAC
- (2Z)-1-ethyl-2-[(Z)-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylprop-2-enylidene]benzo[e][1,3]benzothiazole chloride
- English name
- 1-ethyl-2-[3-(1-ethylnaphtho[1,2-d]thiazolin-2-ylidene)-2-methylpropenyl]naphtho[1,2-d]thiazolium chloride
- Molecular formula
- C30H27ClN2S2
- Molecular weight
- 515.13178
Names & synonyms
1-Ethyl-2-(3-(1-ethylnaphtho(1,2-d)thiazolin-2-ylidene)-2-methylpropenyl)naphtho(1,2-d)thiazolium chlorideEinecs 213-585-41,3-bis-(1-ethyl-naphtho[1,2-d]thiazol-2-yl)-2-methyl trimethinium1-ethyl-2-[3-(1-ethylnaphtho[1,2-d]thiazolin-2-ylidene)-2-methylpropenyl]naphtho[1,2-d]thiazolium chlorideNaphtho(1,2-D)thiazolium, 1-ethyl-2-(3-(1-ethylnaphtho(1,2-D)thiazol-2(1H)-ylidene)-2-methyl-1-propenyl)-, chlorideNaphtho(1,2-D)thiazolium, 1-ethyl-2-(3-(1-ethylnaphtho(1,2-D)thiazol-2(1H)-ylidene)-2-methyl-1-propen-1-yl)-, chloride (1:1)
Database identifiers
- CAS
989-77-5- PubChem CID
- 5484466
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 730
Physicochemical properties
- Melting point
- 209 °C · 209 °C(Solv: methanol (67-56-1))
- EPA Substance Registry System
- 1 · Naphtho[1,2-d]thiazolium, 1-ethyl-2-[3-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-methyl-1-propenyl]-, chloride (989-77-5)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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