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848943-80-6 | 1-Piperidinecarbothioamide, 4-(trifluoromethyl)-
CAS No: 848943-80-6 Catalog No: AG004QE3 MDL No:MFCD21251486
Product Description
Catalog Number:
AG004QE3
Chemical Name:
1-Piperidinecarbothioamide, 4-(trifluoromethyl)-
CAS Number:
848943-80-6
Molecular Formula:
C7H11F3N2S
Molecular Weight:
212.2358
MDL Number:
MFCD21251486
IUPAC Name:
4-(trifluoromethyl)piperidine-1-carbothioamide
InChI:
InChI=1S/C7H11F3N2S/c8-7(9,10)5-1-3-12(4-2-5)6(11)13/h5H,1-4H2,(H2,11,13)
InChI Key:
IPDUJVGEALUJKP-UHFFFAOYSA-N
SMILES:
NC(=S)N1CCC(CC1)C(F)(F)F
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.234g/mol
Monoisotopic Mass:
212.06g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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