Naphtho[1,2-d]thiazolium, 1,2-dimethyl-, 4-methylbenzenesulfonate (1:1)
Basic information
- CAS
58480-17-4- Standard SMILES
Cc1ccc(S(=O)(=O)[O-])cc1.Cc1sc2ccc3ccccc3c2[n+]1C- InChIKey
WMJPMFYZKNZOQC-UHFFFAOYSA-M- Molecular formula
- C20H19NO3S2
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.08063582
Names & identifiers
- Preferred name
- Naphtho[1,2-d]thiazolium, 1,2-dimethyl-, 4-methylbenzenesulfonate (1:1)
- IUPAC
- 1,2-dimethylbenzo[e][1,3]benzothiazol-1-ium;4-methylbenzenesulfonate
- English name
- 2,3-DIMETHYLNAPHTHO[1,2-D]THIAZOLIUM TOSYLATE
- Molecular formula
- C20H19NO3S2
- Molecular weight
- 385.5
Names & synonyms
58480-17-4Naphtho[1,2-d]thiazolium, 1,2-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)EINECS 261-283-6DTXSID40692601,2-Dimethyl-beta-naphthothiazolium p-tosylateNaphtho(1,2-d)thiazolium, 1,2-dimethyl-, 4-methylbenzenesulfonate (1:1)Naphtho(1,2-d)thiazolium, 1,2-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)Naphtho[1,2-d]thiazolium, 1,2-dimethyl-, 4-methylbenzenesulfonate (1:1)RefChem:164676DTXCID80423971,2-dimethylbenzo[e][1,3]benzothiazol-1-ium;4-methylbenzenesulfonateSCHEMBL5159327
Show more names
AURORA KA-87SALOR-INT L203238-1EA2,3-DIMETHYLNAPHTHO[1,2-D]THIAZOLIUM TOSYLATE1,2-dimethylnaphtho[1,2-d]thiazolium toluene-p-sulphonate1,2-DIMETHYLNAPHTHO(1,2-D)(1,3)THIAZOL-1-IUM 4-METHYLBENZENESULFONATE2-d]thiazolium,1,2-dimethyl-naphtho[saltwith4-methylbenzenesulfonicacid
WMJPMFYZKNZOQC-UHFFFAOYSA-MAKOS024407518NS000531701,2-Dimethylnaphtho(1,2-d)thiazolium toluene-p-sulphonate1,2-Dimethylnaphtho[1,2-d]thiazol-1-ium 4-methylbenzenesulfonate1,2-dimethylnaphtho[1,2-d][1,3]thiazol-1-ium 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
58480-17-4- PubChem CID
- 94079
- DTXSID
DTXSID4069260- EC Number
- 261-283-6
Properties
Computed structural properties
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- EPA Substance Registry System
- 1 · Naphtho[1,2-d]thiazolium, 1,2-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1) (58480-17-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNaphtho[1,2-d]thiazolium, 1,2-dimethyl-, 4-methylbenzenesulfonate (1:1): INACTIVE
Suppliers
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Related reactions
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Compound notes
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