2-(4-Methoxyphenyl)-benzothiazol

Catalog Number	ACM6265925-1
CAS	6265-92-5
Structure
Synonyms	2-(4-Methoxyphenyl)-1,3-benzothiazole
IUPAC Name	2-(4-methoxyphenyl)-1,3-benzothiazole
Molecular Weight	241.31
Molecular Formula	C14H11NOS
Canonical SMILES	COC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2
InChI	AOPZIJQISHFZBN-UHFFFAOYSA-N
InChI Key	InChI=1S/C14H11NOS/c1-16-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)17-14/h2-9H,1H3
Melting Point	120-124 °C
Exact Mass	241.05613515
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Monoisotopic Mass	241.05613515
Rotatable Bond Count	2
Topological Polar Surface Area	50.4 Ų