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Home > Nitro Compounds > 74051-52-8
74051-52-8 | 1-ALLYL-3-(M-NITROPHENYL)-2-THIOUREA
CAS No: 74051-52-8 Catalog No: AG005HN6 MDL No:
Product Description
Catalog Number:
AG005HN6
Chemical Name:
1-ALLYL-3-(M-NITROPHENYL)-2-THIOUREA
CAS Number:
74051-52-8
Molecular Formula:
C10H11N3O2S
Molecular Weight:
237.2782
IUPAC Name:
1-(3-nitrophenyl)-3-prop-2-enylthiourea
InChI:
InChI=1S/C10H11N3O2S/c1-2-6-11-10(16)12-8-4-3-5-9(7-8)13(14)15/h2-5,7H,1,6H2,(H2,11,12,16)
InChI Key:
FVADBRSNOKZHHA-UHFFFAOYSA-N
SMILES:
C=CCNC(=S)Nc1cccc(c1)[N+](=O)[O-]
NSC Number:
102086
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.277g/mol
Monoisotopic Mass:
237.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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