Basic information
- CAS
1745-32-0- Standard SMILES
CCN1C(=CC(C)=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21.[Br-]- InChIKey
MUBAIQNAOOUIDW-UHFFFAOYSA-M- Molecular formula
- C22H23BrN2S2
- Average molar mass
- 459.5 g/mol
- Monoisotopic mass
- 458.0486
Overview
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Names & identifiers
- Preferred name
- 3-Ethyl-2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-1,3-benzothiazol-3-ium bromide
- IUPAC
- 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole bromide
- English name
- 3-ethyl-2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]benzothiazolium bromide
- Molecular formula
- C22H23BrN2S2
- Molecular weight
- 459.46542
Names & synonyms
SCHEMBL9192803MUBAIQNAOOUIDW-UHFFFAOYSA-MNS000822283-Ethyl-2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-1,3-benzothiazol-3-ium bromide3,3''-Diethyl-9-methylbenzothiocarbocyanine bromide3-ethyl-2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]benzothiazolium bromide
Database identifiers
- CAS
1745-32-0- PubChem CID
- 74455
- DTXSID
DTXSID90883748
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 511
Physicochemical properties
- ex/em
- 488 nm; · λex 488 nm; λem 503 nm in dichloromethane
- EPA Substance Registry System
- 3 · Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-, bromide (1745-32-0)
- 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
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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