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Home Sulfos 3-amino-1-[4-(morpholine-4-sulfonyl)phenyl]thiourea

3-amino-1-[4-(morpholine-4-sulfonyl)phenyl]thiourea

CAS No.:
554404-09-0
Catalog Number:
AG019HR3
Molecular Formula:
C11H16N4O3S2
Molecular Weight:
316.3997
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Product Description
Catalog Number:
AG019HR3
Chemical Name:
3-amino-1-[4-(morpholine-4-sulfonyl)phenyl]thiourea
CAS Number:
554404-09-0
Molecular Formula:
C11H16N4O3S2
Molecular Weight:
316.3997
MDL Number:
MFCD03964669
IUPAC Name:
1-amino-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
InChI:
InChI=1S/C11H16N4O3S2/c12-14-11(19)13-9-1-3-10(4-2-9)20(16,17)15-5-7-18-8-6-15/h1-4H,5-8,12H2,(H2,13,14,19)
InChI Key:
PDDBWJBHBCGFBA-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
Properties
Complexity:
423  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.066g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
316.394g/mol
Monoisotopic Mass:
316.066g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
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
Properties