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88742-99-8 | 1,3,4-Thiadiazol-2-amine, 5-[2-(4-fluorophenyl)ethenyl]-
CAS No: 88742-99-8 Catalog No: AG004CP2 MDL No:
Product Description
Catalog Number:
AG004CP2
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-[2-(4-fluorophenyl)ethenyl]-
CAS Number:
88742-99-8
Molecular Formula:
C10H8FN3S
Molecular Weight:
221.2540
IUPAC Name:
5-[2-(4-fluorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C10H8FN3S/c11-8-4-1-7(2-5-8)3-6-9-13-14-10(12)15-9/h1-6H,(H2,12,14)
InChI Key:
ZVJSOAYBZRAYRP-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C=Cc1nnc(s1)N
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.253g/mol
Monoisotopic Mass:
221.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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