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144165-20-8 | 4H-1,2,4-Triazole, 3-(3-fluorophenyl)-4-methyl-5-(methylthio)-
CAS No: 144165-20-8 Catalog No: AG001J19 MDL No:
Product Description
Catalog Number:
AG001J19
Chemical Name:
4H-1,2,4-Triazole, 3-(3-fluorophenyl)-4-methyl-5-(methylthio)-
CAS Number:
144165-20-8
Molecular Formula:
C10H10FN3S
Molecular Weight:
223.2699
IUPAC Name:
3-(3-fluorophenyl)-4-methyl-5-methylsulfanyl-1,5-dihydro-1,2,4-triazole
InChI:
InChI=1S/C10H12FN3S/c1-14-9(12-13-10(14)15-2)7-4-3-5-8(11)6-7/h3-6,10,13H,1-2H3
InChI Key:
XOHUJGWZSWQNJD-UHFFFAOYSA-N
SMILES:
CSc1nnc(n1C)c1cccc(c1)F
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.285g/mol
Monoisotopic Mass:
225.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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