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Home > Fluorides > 138318-68-0
138318-68-0 | 5H-Tetrazole-5-thione, 1-[3,5-bis(trifluoromethyl)phenyl]-1,2-dihydro-
CAS No: 138318-68-0 Catalog No: AG0018J3 MDL No:
Product Description
Catalog Number:
AG0018J3
Chemical Name:
5H-Tetrazole-5-thione, 1-[3,5-bis(trifluoromethyl)phenyl]-1,2-dihydro-
CAS Number:
138318-68-0
Molecular Formula:
C9H4F6N4S
Molecular Weight:
314.2103
IUPAC Name:
1-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole-5-thione
InChI:
InChI=1S/C9H4F6N4S/c10-8(11,12)4-1-5(9(13,14)15)3-6(2-4)19-7(20)16-17-18-19/h1-3H,(H,16,18,20)
InChI Key:
JTADLCMPZGCLCU-UHFFFAOYSA-N
SMILES:
S=c1nn[nH]n1c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.006g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.209g/mol
Monoisotopic Mass:
314.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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