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14731-24-9 | 1,3,4-Thiadiazole-2(3H)-thione, 5-[(4-fluorophenyl)amino]-
CAS No: 14731-24-9 Catalog No: AG001ESD MDL No:MFCD07366447
Product Description
Catalog Number:
AG001ESD
Chemical Name:
1,3,4-Thiadiazole-2(3H)-thione, 5-[(4-fluorophenyl)amino]-
CAS Number:
14731-24-9
Molecular Formula:
C8H6FN3S2
Molecular Weight:
227.2817
MDL Number:
MFCD07366447
IUPAC Name:
5-(4-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C8H6FN3S2/c9-5-1-3-6(4-2-5)10-7-11-12-8(13)14-7/h1-4H,(H,10,11)(H,12,13)
InChI Key:
WIIOPIYGNZKALU-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Nc1n[nH]c(=S)s1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.999g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.275g/mol
Monoisotopic Mass:
226.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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