1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium
Basic information
- CAS
2785-05-9- Standard SMILES
Cc1sc2ccc3ccccc3c2[n+]1C- InChIKey
MQFVWWGIAINZAB-UHFFFAOYSA-N- Molecular formula
- C13H12NS+
- Average molar mass
- 214.31 g/mol
- Monoisotopic mass
- 214.06904556
Names & identifiers
- Preferred name
- 1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium
- IUPAC
- 1,2-dimethylbenzo[e][1,3]benzothiazol-1-ium
- English name
- 1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium
- Molecular formula
- C13H12NS+
- Molecular weight
- 214.31
Names & synonyms
1,2-Dimethylnaphtho[1,2-d]thiazol-3-ium2785-05-91,2-dimethylbenzo[e][1,3]benzothiazol-1-ium1,2-dimethylnaphtho[1,2-d][1,3]thiazol-1-iumNSC 3802781,2-Dimethyl-1lambda(5)-naphtho(1,2-d)(1,3)thiazole40265-74-5NSC380278naphtho[1,2-d]thiazolium, 1,2-dimethyl-1,2-Dimethyl-naphtho[1,2-d]thiazol-1-iumLF3QM72Y7TSCHEMBL7252269
Show more names
SCHEMBL31623888DTXSID301821611,2-dimethylbenzo[e]benzothiazoleSTK396417AKOS000546402ST503203031,2-Dimethyl-1.lambda.~5~-naphtho[1,2-d][1,3]thiazole
Database identifiers
- CAS
2785-05-9、40265-74-5- PubChem CID
- 94080
- DTXSID
DTXSID30182161- UNII
- LF3QM72Y7T
- Nikkaji
- J293.342J、J304.052F
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 1
- Complexity
- 243
Physicochemical properties
- FDA UNII
- 3 QM72Y7T · LF3QM72Y7T
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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