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Home > Fluorides > 130997-48-7
130997-48-7 | 2(3H)-Benzothiazolimine, 3-[2-(2-pyridinylsulfinyl)ethyl]-6-(trifluoromethoxy)-
CAS No: 130997-48-7 Catalog No: AG000V8B MDL No:
Product Description
Catalog Number:
AG000V8B
Chemical Name:
2(3H)-Benzothiazolimine, 3-[2-(2-pyridinylsulfinyl)ethyl]-6-(trifluoromethoxy)-
CAS Number:
130997-48-7
Molecular Formula:
C15H12F3N3O2S2
Molecular Weight:
387.3999
IUPAC Name:
3-(2-pyridin-2-ylsulfinylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
InChI:
InChI=1S/C15H12F3N3O2S2/c16-15(17,18)23-10-4-5-11-12(9-10)24-14(19)21(11)7-8-25(22)13-3-1-2-6-20-13/h1-6,9,19H,7-8H2
InChI Key:
VSKFJSHIZUMHBI-UHFFFAOYSA-N
SMILES:
O=S(c1ccccn1)CCn1c(=N)sc2c1ccc(c2)OC(F)(F)F
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.032g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.395g/mol
Monoisotopic Mass:
387.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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