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Basic information
- CAS
4568-71-2- Standard SMILES
Cc1c(CCO)sc[n+]1Cc1ccccc1.[Cl-]- InChIKey
IWSVLBKHBJGMAA-UHFFFAOYSA-M- Molecular formula
- C13H16ClNOS
- Average molar mass
- 269.79 g/mol
- Monoisotopic mass
- 269.06411281
Names & identifiers
- Preferred name
- 3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride
- IUPAC
- 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol chloride
Names & synonyms
4568-71-23-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chlorideRefChem:93062224-947-6EINECS 224-947-6NSC 1728023-benzyl-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chlorideMFCD000119592-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethanol;chloride2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;chlorideEN300-7355556
Show more names
3-benzyl-5-(2- hydroxyethyl)-4-methylthiazolium chloride2-[4-methyl-3-benzyl-1,3-thiazol-5-yl]ethan-1-ol, chlorideThiazolium, 5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-, chlorideSCHEMBL213373-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUMDTXSID509634192-(3-benzyl-4-methyl-1,3-th2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol chloride
Database identifiers
- CAS
4568-71-2- PubChem CID
- 2833352
- DTXSID
DTXSID50963419- EC Number
- 224-947-6
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 206
Safety & regulation
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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationThiazolium, 5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-, chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
94 records
Compound notes
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