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Home > Fluorides > 139122-56-8
139122-56-8 | 2(3H)-Benzothiazolimine, 3-[3-(methylthio)propyl]-6-(trifluoromethoxy)-
CAS No: 139122-56-8 Catalog No: AG001ACO MDL No:
Product Description
Catalog Number:
AG001ACO
Chemical Name:
2(3H)-Benzothiazolimine, 3-[3-(methylthio)propyl]-6-(trifluoromethoxy)-
CAS Number:
139122-56-8
Molecular Formula:
C12H13F3N2OS2
Molecular Weight:
322.3696
IUPAC Name:
3-(3-methylsulfanylpropyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
InChI:
InChI=1S/C12H13F3N2OS2/c1-19-6-2-5-17-9-4-3-8(18-12(13,14)15)7-10(9)20-11(17)16/h3-4,7,16H,2,5-6H2,1H3
InChI Key:
MAEVCVVOXIXXTJ-UHFFFAOYSA-N
SMILES:
CSCCCn1c(=N)sc2c1ccc(c2)OC(F)(F)F
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.042g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.364g/mol
Monoisotopic Mass:
322.042g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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