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Home > Fluorides > 108413-72-5
108413-72-5 | 1,3,4-Thiadiazole-2(3H)-thione, 5-(4-fluorophenyl)-
CAS No: 108413-72-5 Catalog No: AG01FMY7 MDL No:MFCD02671454
Product Description
Catalog Number:
AG01FMY7
Chemical Name:
1,3,4-Thiadiazole-2(3H)-thione, 5-(4-fluorophenyl)-
CAS Number:
108413-72-5
Molecular Formula:
C8H5FN2S2
Molecular Weight:
212.2671
MDL Number:
MFCD02671454
IUPAC Name:
5-(4-fluorophenyl)-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C8H5FN2S2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
InChI Key:
JHXBRYXSTQWYGA-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nnc(s1)S
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.988g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.26g/mol
Monoisotopic Mass:
211.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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