Synonyms
MFCD00179918 (98%); AKOS022173268; NSC155084; Maybridge1_002105; 2-(2-thienyl)-1,3-benzothiazole; 2-(2-Thienyl)benzothiazole; I14-107141; HMS2777A12; AJ-12190; SY046139;
IUPAC Name
2-thiophen-2-yl-1,3-benzothiazole;
Molecular Weight
217.304g/mol
Molecular Formula
C11H7NS2;
Canonical SMILES
C1=CC=C2C(=C1)N=C(S2)C3=CC=CS3;
InChI
InChI=1S/C11H7NS2/c1-2-5-9-8(4-1)12-11(14-9)10-6-3-7-13-10/h1-7H;
InChI Key
CNDVGJHQJAJTJK-UHFFFAOYSA-N;
Solubility
0.7 [ug/mL];
Complexity
210
Covalently-Bonded Unit Count
1
Exact Mass
217.002g/mol
H-Bond Acceptor
3
Heavy Atom Count
14
Monoisotopic Mass
217.002g/mol
NSC Number
155084
Rotatable Bond Count
1
Topological Polar Surface Area
69.4A^2
