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90254-22-1

90254-22-1 | Thiomorpholine, 4-(4-nitrophenyl)-

CAS No: 90254-22-1 Catalog No: AG00IG1W MDL No:MFCD01604442

Product Description

Catalog Number:
AG00IG1W
Chemical Name:
Thiomorpholine, 4-(4-nitrophenyl)-
CAS Number:
90254-22-1
Molecular Formula:
C10H12N2O2S
Molecular Weight:
224.2795
MDL Number:
MFCD01604442
IUPAC Name:
4-(4-nitrophenyl)thiomorpholine
InChI:
InChI=1S/C10H12N2O2S/c13-12(14)10-3-1-9(2-4-10)11-5-7-15-8-6-11/h1-4H,5-8H2
InChI Key:
IRHIMRCEUXJBGP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N1CCSCC1

Properties

Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.062g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.278g/mol
Monoisotopic Mass:
224.062g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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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