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Home > Nitro Compounds > 219521-60-5
219521-60-5 | 3-(4-nitrophenyl)-1-(2-phenylethyl)thiourea
CAS No: 219521-60-5 Catalog No: AG00ITIU MDL No:MFCD02055266
Product Description
Catalog Number:
AG00ITIU
Chemical Name:
3-(4-nitrophenyl)-1-(2-phenylethyl)thiourea
CAS Number:
219521-60-5
Molecular Formula:
C15H15N3O2S
Molecular Weight:
301.3635
MDL Number:
MFCD02055266
IUPAC Name:
1-(4-nitrophenyl)-3-(2-phenylethyl)thiourea
InChI:
InChI=1S/C15H15N3O2S/c19-18(20)14-8-6-13(7-9-14)17-15(21)16-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,16,17,21)
InChI Key:
PJOLZDYSBDFJSY-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1)[N+](=O)[O-])NCCc1ccccc1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.088g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.364g/mol
Monoisotopic Mass:
301.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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