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Home > Nitro Compounds > 16361-69-6
16361-69-6 | Thiourea, N-methyl-N'-(4-nitrophenyl)-
CAS No: 16361-69-6 Catalog No: AG001UA7 MDL No:
Product Description
Catalog Number:
AG001UA7
Chemical Name:
Thiourea, N-methyl-N'-(4-nitrophenyl)-
CAS Number:
16361-69-6
Molecular Formula:
C8H9N3O2S
Molecular Weight:
211.2410
IUPAC Name:
1-methyl-3-(4-nitrophenyl)thiourea
InChI:
InChI=1S/C8H9N3O2S/c1-9-8(14)10-6-2-4-7(5-3-6)11(12)13/h2-5H,1H3,(H2,9,10,14)
InChI Key:
IZLUBBFCORMPHF-UHFFFAOYSA-N
SMILES:
CNC(=S)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.239g/mol
Monoisotopic Mass:
211.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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