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132305-92-1 | 2(3H)-Thiazolethione, 4-(chloromethyl)-3-(2,3,4-trifluorophenyl)-
CAS No: 132305-92-1 Catalog No: AG0010IF MDL No:
Product Description
Catalog Number:
AG0010IF
Chemical Name:
2(3H)-Thiazolethione, 4-(chloromethyl)-3-(2,3,4-trifluorophenyl)-
CAS Number:
132305-92-1
Molecular Formula:
C10H5ClF3NS2
Molecular Weight:
295.7316
IUPAC Name:
4-(chloromethyl)-3-(2,3,4-trifluorophenyl)-1,3-thiazole-2-thione
InChI:
InChI=1S/C10H5ClF3NS2/c11-3-5-4-17-10(16)15(5)7-2-1-6(12)8(13)9(7)14/h1-2,4H,3H2
InChI Key:
PFJFLLXZAOSLTJ-UHFFFAOYSA-N
SMILES:
ClCc1csc(=S)n1c1ccc(c(c1F)F)F
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.95g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.722g/mol
Monoisotopic Mass:
294.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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