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1154963-60-6 | Benzenamine, 5-methyl-2-[(trifluoromethyl)thio]-
CAS No: 1154963-60-6 Catalog No: AG000G26 MDL No:
Product Description
Catalog Number:
AG000G26
Chemical Name:
Benzenamine, 5-methyl-2-[(trifluoromethyl)thio]-
CAS Number:
1154963-60-6
Molecular Formula:
C8H8F3NS
Molecular Weight:
207.2160
IUPAC Name:
5-methyl-2-(trifluoromethylsulfanyl)aniline
InChI:
InChI=1S/C8H8F3NS/c1-5-2-3-7(6(12)4-5)13-8(9,10)11/h2-4H,12H2,1H3
InChI Key:
ANAMAQFZAQXNRQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)N)SC(F)(F)F
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.214g/mol
Monoisotopic Mass:
207.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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