Alpha-(4-(6-methyl-2-benzothiazolyl)phenylimino)-O-cresol
Basic information
- CAS
82654-96-4- Standard SMILES
Cc1ccc2nc(-c3ccc(N=Cc4ccccc4O)cc3)sc2c1- InChIKey
NDTLSVIHPFXUNH-UHFFFAOYSA-N- Molecular formula
- C21H16N2OS
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.09833431
Overview
2-({[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)phenol is a member of benzothiazoles.
Names & identifiers
- Preferred name
- Alpha-(4-(6-methyl-2-benzothiazolyl)phenylimino)-O-cresol
- IUPAC
- 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol
- English name
- alpha-(4-(6-Methyl-2-benzothiazolyl)phenylimino)-o-cresol
- Molecular formula
- C21H16N2S
- Molecular weight
- 328.43
Names & synonyms
ALPHA-(4-(6-METHYL-2-BENZOTHIAZOLYL)PHENYLIMINO)-O-CRESOL82654-96-4RefChem:555228665-767-1321555-60-62-({[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)phenol2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol2-[(1E)-{[4-(6-METHYL-1,3-BENZOTHIAZOL-2-YL)PHENYL]IMINO}METHYL]PHENOLNSC268694CHEBI:190590AKOS001575833NSC-268694
Show more names
Benzenamine, 4-(6-methyl-2-benzothiazolyl)-N-(phenylmethylene)-
SDCCGSBI-0087053.P001ST50550789F0012-04602((e){[4(6methyl1,3benzothiazol2yl)phenyl]imino}methyl)phenolPhenol, 2-[[[4-(6-methyl-2-benzothiazolyl)phenyl]imino]methyl]-(E)-2-(((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)imino)methyl)phenol2-{(1E)-2-[4-(6-methylbenzothiazol-2-yl)phenyl]-2-azavinyl}phenol
Database identifiers
- CAS
82654-96-4- PubChem CID
- 320585
- ChEBI
CHEBI:190590
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 463
Physicochemical properties
- Boiling point
- 518.6 · 518.6±52.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 2.61 · 2.61±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H413
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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, P273, 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 38 reports by companies from 1 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Additional notes
DefinitionChEBI: 2-({[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)phenol is a member of benzothiazoles.
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Compound notes
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