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Home > Fluorides > 351494-47-8
351494-47-8 | 5-(4-Fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
CAS No: 351494-47-8 Catalog No: AG01F47T MDL No:
Product Description
Catalog Number:
AG01F47T
Chemical Name:
5-(4-Fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
CAS Number:
351494-47-8
Molecular Formula:
C14H12FN3S2
Molecular Weight:
305.3936
IUPAC Name:
3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
InChI:
InChI=1S/C14H12FN3S2/c15-10-5-3-9(4-6-10)12-8-11(13-2-1-7-20-13)17-18(12)14(16)19/h1-7,12H,8H2,(H2,16,19)
InChI Key:
ZISDVUDZCUWJOM-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C1CC(=NN1C(=S)N)c1cccs1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.046g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.389g/mol
Monoisotopic Mass:
305.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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