Synonyms
2-(4-Methoxyphenyl)benzothiazole; MCULE-4776895350; MFCD01099069 (98%); ZINC163299; Benzothiazole,2-(4-methoxyphenyl)-; AC1L3V0T; CS-12305; 1-(2-Benzothiazolyl)-4-methoxybenzene; TC-123067; SMR000284381;
IUPAC Name
2-(4-methoxyphenyl)-1,3-benzothiazole;
Molecular Weight
241.308g/mol
Molecular Formula
C14H11NOS;
Canonical SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2;
InChI
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;
InChI Key
AOPZIJQISHFZBN-UHFFFAOYSA-N;
Complexity
253
Covalently-Bonded Unit Count
1
Exact Mass
241.056g/mol
H-Bond Acceptor
3
Heavy Atom Count
17
Monoisotopic Mass
241.056g/mol
NSC Number
33161
Rotatable Bond Count
2
Topological Polar Surface Area
50.4A^2
