CAS 6265-55-0 | 4-(1,3-BENZOTHIAZOL-2-YL)PHENOL | CAS Number 6265-55-0

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6265-55-0 | 4-(1,3-BENZOTHIAZOL-2-YL)PHENOL

CAS No: 6265-55-0 Catalog No: AG00E8OT MDL No:MFCD01707773

Product Description

Catalog Number:

AG00E8OT

Chemical Name:

4-(1,3-BENZOTHIAZOL-2-YL)PHENOL

CAS Number:

6265-55-0

Molecular Formula:

C13H9NOS

Molecular Weight:

227.2817

MDL Number:

MFCD01707773

IUPAC Name:

4-(1,3-benzothiazol-2-yl)phenol

InChI:

InChI=1S/C13H9NOS/c15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)16-13/h1-8,15H

InChI Key:

ODMDLCWSMSFWCW-UHFFFAOYSA-N

SMILES:

Oc1ccc(cc1)c1nc2c(s1)cccc2

NSC Number:

33004

Properties

Complexity:

240

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.281g/mol

Monoisotopic Mass:

227.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9

Literature

Title	Journal
Synthesis and biological evaluation of a series of 2-(substitutedphenyl)benzothiazoles.	Medicinal chemistry (Shariqah (United Arab Emirates)) 20110301
Study on changes in optical properties of phenylbenzothiazole derivatives on metal ion binding.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100915