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Home > Nitro Compounds > 358731-01-8
358731-01-8 | 2-(5-METHYL-4-NITRO-2H-PYRAZOL-3-YLSULFANYL)-PYRIDINE
CAS No: 358731-01-8 Catalog No: AG01ANII MDL No:MFCD01459875
Product Description
Catalog Number:
AG01ANII
Chemical Name:
2-(5-METHYL-4-NITRO-2H-PYRAZOL-3-YLSULFANYL)-PYRIDINE
CAS Number:
358731-01-8
Molecular Formula:
C9H8N4O2S
Molecular Weight:
236.2504
MDL Number:
MFCD01459875
IUPAC Name:
2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]pyridine
InChI:
InChI=1S/C9H8N4O2S/c1-6-8(13(14)15)9(12-11-6)16-7-4-2-3-5-10-7/h2-5H,1H3,(H,11,12)
InChI Key:
ZLKDMPIVTPKSDD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c([nH]nc1C)Sc1ccccn1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.037g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.249g/mol
Monoisotopic Mass:
236.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^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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