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1473-33-2 | Thiourea, N,N'-bis(4-hydroxyphenyl)-
CAS No: 1473-33-2 Catalog No: AG001ESM MDL No:
Product Description
Catalog Number:
AG001ESM
Chemical Name:
Thiourea, N,N'-bis(4-hydroxyphenyl)-
CAS Number:
1473-33-2
Molecular Formula:
C13H12N2O2S
Molecular Weight:
260.3116
IUPAC Name:
1,3-bis(4-hydroxyphenyl)thiourea
InChI:
InChI=1S/C13H12N2O2S/c16-11-5-1-9(2-6-11)14-13(18)15-10-3-7-12(17)8-4-10/h1-8,16-17H,(H2,14,15,18)
InChI Key:
OXQMYTLVQRRPJB-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1)O)Nc1ccc(cc1)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
260.311g/mol
Monoisotopic Mass:
260.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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