Home Carbonyls 2-methyl-5-(thiomorpholine-4-carbonyl)aniline

2-methyl-5-(thiomorpholine-4-carbonyl)aniline

CAS No.:
1042776-32-8
Catalog Number:
AG01A9V5
Molecular Formula:
C12H16N2OS
Molecular Weight:
236.3332
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Product Description
Catalog Number:
AG01A9V5
Chemical Name:
2-methyl-5-(thiomorpholine-4-carbonyl)aniline
CAS Number:
1042776-32-8
Molecular Formula:
C12H16N2OS
Molecular Weight:
236.3332
MDL Number:
MFCD11172027
IUPAC Name:
(3-amino-4-methylphenyl)-thiomorpholin-4-ylmethanone
InChI:
InChI=1S/C12H16N2OS/c1-9-2-3-10(8-11(9)13)12(15)14-4-6-16-7-5-14/h2-3,8H,4-7,13H2,1H3
InChI Key:
XZHKQSSQNCYQRL-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)N)C)N1CCSCC1
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.098g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.333g/mol
Monoisotopic Mass:
236.098g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties