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100508-54-1 | 3-Hexene-2-thione, 4-amino-1,1,1-trifluoro-5,5-dimethyl-
CAS No: 100508-54-1 Catalog No: AG00026V MDL No:
Product Description
Catalog Number:
AG00026V
Chemical Name:
3-Hexene-2-thione, 4-amino-1,1,1-trifluoro-5,5-dimethyl-
CAS Number:
100508-54-1
Molecular Formula:
C8H12F3NS
Molecular Weight:
211.2478
IUPAC Name:
4-amino-1,1,1-trifluoro-5,5-dimethylhex-3-ene-2-thione
InChI:
InChI=1S/C8H12F3NS/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4H,12H2,1-3H3
InChI Key:
HLWPLIJUTQQAPM-UHFFFAOYSA-N
SMILES:
NC(=CC(=S)C(F)(F)F)C(C)(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.246g/mol
Monoisotopic Mass:
211.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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