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29552-52-1 | 3H-1,2,4-Triazole-3-thione, 4-ethyl-5-(4-fluorophenyl)-2,4-dihydro-
CAS No: 29552-52-1 Catalog No: AG002YQJ MDL No:MFCD03900771
Product Description
Catalog Number:
AG002YQJ
Chemical Name:
3H-1,2,4-Triazole-3-thione, 4-ethyl-5-(4-fluorophenyl)-2,4-dihydro-
CAS Number:
29552-52-1
Molecular Formula:
C10H10FN3S
Molecular Weight:
223.2699
MDL Number:
MFCD03900771
IUPAC Name:
4-ethyl-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C10H10FN3S/c1-2-14-9(12-13-10(14)15)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3,(H,13,15)
InChI Key:
GOJHSRQOQIHNJX-UHFFFAOYSA-N
SMILES:
CCn1c(n[nH]c1=S)c1ccc(cc1)F
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.269g/mol
Monoisotopic Mass:
223.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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