Home Other Building Blocks 3-(1,1-dioxothiomorpholin-4-yl)phenylamine

3-(1,1-dioxothiomorpholin-4-yl)phenylamine

CAS No.:
1152859-34-1
Catalog Number:
AG019X6B
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
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Product Description
Catalog Number:
AG019X6B
Chemical Name:
3-(1,1-dioxothiomorpholin-4-yl)phenylamine
CAS Number:
1152859-34-1
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
MDL Number:
MFCD09757560
IUPAC Name:
3-(1,1-dioxo-1,4-thiazinan-4-yl)aniline
InChI:
InChI=1S/C10H14N2O2S/c11-9-2-1-3-10(8-9)12-4-6-15(13,14)7-5-12/h1-3,8H,4-7,11H2
InChI Key:
AABYCBJQCOPZML-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)N1CCS(=O)(=O)CC1
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.078g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.294g/mol
Monoisotopic Mass:
226.078g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties