Basic information
- CAS
6285-35-4- Standard SMILES
CN(C)c1ccc(C=Cc2sc3ccc4ccccc4c3[n+]2C)cc1.[I-]- InChIKey
IKAPOHKDZVIPFQ-UHFFFAOYSA-M- Molecular formula
- C22H21IN2S
- Average molar mass
- 472.4 g/mol
- Monoisotopic mass
- 472.04702
Overview
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Names & identifiers
- Preferred name
- 2-{2-[4-(Dimethylamino)phenyl]ethen-1-yl}-1-methylnaphtho[1,2-d][1,3]thiazol-1-ium iodide
- IUPAC
- N,N-dimethyl-4-[2-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)ethenyl]aniline iodide
- English name
- NSC 5551
- Molecular formula
- C22H21N2S.I
- Molecular weight
- 472.39
Names & synonyms
SCHEMBL7558506SCHEMBL8390784SCHEMBL31238354AKOS0244290662-{2-[4-(Dimethylamino)phenyl]ethen-1-yl}-1-methylnaphtho[1,2-d][1,3]thiazol-1-ium iodideNSC 55512-(4-(DIMETHYLAMINO)STYRYL)NAPHTHO(1,2-D)THIAZOLE METHIODIDE2-(4-(dimethylamino)styryl)-1-methylnaphtho[1,2-d]thiazol-1-ium iodide
Database identifiers
- CAS
6285-35-4- PubChem CID
- 22700
- DTXSID
DTXSID20978570
Properties
Computed structural properties
- Topological polar surface area
- 35.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 469
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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