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2- (o-Hydroxyphenyl) benzothiazole

CAT: 0286-H16530-01Size: 5 gDry Ice: NoHazardous: No
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CAS Number
3411-95-8
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00022869
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

2-(2'-Hydroxyphenyl)benzothiazole

2-(1,3-benzothiazol-2-yl)phenol is a member of the class of benzothiazoles that is 1,3-benzothiazole substituted by a 2-hydroxyphenyl group at position 2. It has a role as a geroprotector. It is a member of phenols and a member of benzothiazoles.

CAS Number3411-95-8
PubChem CID18874
IUPAC Name2-(1,3-benzothiazol-2-yl)phenol
Molecular FormulaC13H9NOS
Molecular Weight227.28
XLogP3.9
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity248
SMILES
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)O
InChI
InChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H
InChIKey
MVVGSPCXHRFDDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2'-Hydroxyphenyl)benzothiazole
CAS: 3411-95-8
CID: 18874
Formula: C13H9NOS
MW: 227.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight227.28
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass227.04048508
Monoisotopic Mass227.04048508
Topological Polar Surface Area61.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity248
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes