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85879-21-6 | Urea, [3-(methylthio)phenyl]-
CAS No: 85879-21-6 Catalog No: AG004WVM MDL No:MFCD00175186
Product Description
Catalog Number:
AG004WVM
Chemical Name:
Urea, [3-(methylthio)phenyl]-
CAS Number:
85879-21-6
Molecular Formula:
C8H10N2OS
Molecular Weight:
182.2428
MDL Number:
MFCD00175186
IUPAC Name:
(3-methylsulfanylphenyl)urea
InChI:
InChI=1S/C8H10N2OS/c1-12-7-4-2-3-6(5-7)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChI Key:
CPMWTHYDRMILTO-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)NC(=O)N
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.241g/mol
Monoisotopic Mass:
182.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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