Home Carbonyls 3-(thiomorpholine-4-carbonyl)aniline

3-(thiomorpholine-4-carbonyl)aniline

CAS No.:
1042776-72-6
Catalog Number:
AG01A7ZS
Molecular Formula:
C11H14N2OS
Molecular Weight:
222.3067
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Product Description
Catalog Number:
AG01A7ZS
Chemical Name:
3-(thiomorpholine-4-carbonyl)aniline
CAS Number:
1042776-72-6
Molecular Formula:
C11H14N2OS
Molecular Weight:
222.3067
MDL Number:
MFCD11172038
IUPAC Name:
(3-aminophenyl)-thiomorpholin-4-ylmethanone
InChI:
InChI=1S/C11H14N2OS/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,8H,4-7,12H2
InChI Key:
XYBPGFUJUIVYSU-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)C(=O)N1CCSCC1
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.083g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.306g/mol
Monoisotopic Mass:
222.083g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties