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

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

CAS: 3411-95-8

Formula: C13H9NOS

SMILES: OC1=C(C=CC=C1)C1=NC2=CC=CC=C2S1

IUPAC: 2-(1,3-benzothiazol-2-yl)phenol

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

Composition: C (68.70%), H (3.99%), N (6.16%), O (7.04%), S (14.11%)

Molar Mass: 227.28

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	227.040485088
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	MVVGSPCXHRFDDR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.21
Topological Polar Surface Area	33.12
Polarizability	26.55
Ring Count	3
Rotatable Bond Count	1

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