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Home > Nitro Compounds > 29527-36-4
29527-36-4 | 3H-1,2,4-Triazole-3-thione, 4-ethyl-2,4-dihydro-5-(4-nitrophenyl)-
CAS No: 29527-36-4 Catalog No: AG002YN6 MDL No:MFCD01164034
Product Description
Catalog Number:
AG002YN6
Chemical Name:
3H-1,2,4-Triazole-3-thione, 4-ethyl-2,4-dihydro-5-(4-nitrophenyl)-
CAS Number:
29527-36-4
Molecular Formula:
C10H10N4O2S
Molecular Weight:
250.2770
MDL Number:
MFCD01164034
IUPAC Name:
4-ethyl-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C10H10N4O2S/c1-2-13-9(11-12-10(13)17)7-3-5-8(6-4-7)14(15)16/h3-6H,2H2,1H3,(H,12,17)
InChI Key:
JNZXGFSUVHHLKG-UHFFFAOYSA-N
SMILES:
CCn1c(n[nH]c1=S)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.276g/mol
Monoisotopic Mass:
250.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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