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14210-42-5 | 5H-Tetrazole-5-thione, 1-(3-fluorophenyl)-1,2-dihydro-
CAS No: 14210-42-5 Catalog No: AG001HST MDL No:
Product Description
Catalog Number:
AG001HST
Chemical Name:
5H-Tetrazole-5-thione, 1-(3-fluorophenyl)-1,2-dihydro-
CAS Number:
14210-42-5
Molecular Formula:
C7H5FN4S
Molecular Weight:
196.2048
IUPAC Name:
1-(3-fluorophenyl)-2H-tetrazole-5-thione
InChI:
InChI=1S/C7H5FN4S/c8-5-2-1-3-6(4-5)12-7(13)9-10-11-12/h1-4H,(H,9,11,13)
InChI Key:
LJTAYQURXWOBHW-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)n1[nH]nnc1=S
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.203g/mol
Monoisotopic Mass:
196.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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