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13097-10-4

13097-10-4 | 4-Thiazolidinone, 3-(phenylamino)-2-thioxo-

CAS No: 13097-10-4 Catalog No: AG000V77 MDL No:MFCD00022547

Product Description

Catalog Number:
AG000V77
Chemical Name:
4-Thiazolidinone, 3-(phenylamino)-2-thioxo-
CAS Number:
13097-10-4
Molecular Formula:
C9H8N2OS2
Molecular Weight:
224.3026
MDL Number:
MFCD00022547
IUPAC Name:
3-anilino-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C9H8N2OS2/c12-8-6-14-9(13)11(8)10-7-4-2-1-3-5-7/h1-5,10H,6H2
InChI Key:
SNRGCDPTDOAQEQ-UHFFFAOYSA-N
SMILES:
O=C1CSC(=S)N1Nc1ccccc1
NSC Number:
91507

Properties

Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.008g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.296g/mol
Monoisotopic Mass:
224.008g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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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