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

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

CAS: 36341-25-0

Formula: C14H11NO2S

SMILES: COC1=CC(=CC=C1O)C1=NC2=CC=CC=C2S1

IUPAC: 4-(1,3-benzothiazol-2-yl)-2-methoxyphenol

InChI: InChI=1S/C14H11NO2S/c1-17-12-8-9(6-7-11(12)16)14-15-10-4-2-3-5-13(10)18-14/h2-8,16H,1H3

Composition: C (65.35%), H (4.31%), N (5.44%), O (12.44%), S (12.46%)

Molar Mass: 257.31

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	257.051049772
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KRVBOHJNAFQFPW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.67
Topological Polar Surface Area	42.35
Polarizability	29.03
Ring Count	3
Rotatable Bond Count	2

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