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Home > Nitro Compounds > 93378-59-7
93378-59-7 | 5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 93378-59-7 Catalog No: AG019JNF MDL No:MFCD01116581
Product Description
Catalog Number:
AG019JNF
Chemical Name:
5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
93378-59-7
Molecular Formula:
C11H10N4O2S
Molecular Weight:
262.2877
MDL Number:
MFCD01116581
IUPAC Name:
3-(4-nitrophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C11H10N4O2S/c1-2-7-14-10(12-13-11(14)18)8-3-5-9(6-4-8)15(16)17/h2-6H,1,7H2,(H,13,18)
InChI Key:
NYVAMWAVHJMDQT-UHFFFAOYSA-N
SMILES:
C=CCn1c(S)nnc1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.287g/mol
Monoisotopic Mass:
262.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^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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