Home Other Building Blocks 2-methyl-4-(thiomorpholin-4-ylmethyl)aniline

2-methyl-4-(thiomorpholin-4-ylmethyl)aniline

CAS No.:
1042633-46-4
Catalog Number:
AG01A8FB
Molecular Formula:
C12H18N2S
Molecular Weight:
222.3497
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Product Description
Catalog Number:
AG01A8FB
Chemical Name:
2-methyl-4-(thiomorpholin-4-ylmethyl)aniline
CAS Number:
1042633-46-4
Molecular Formula:
C12H18N2S
Molecular Weight:
222.3497
MDL Number:
MFCD11172341
IUPAC Name:
2-methyl-4-(thiomorpholin-4-ylmethyl)aniline
InChI:
InChI=1S/C12H18N2S/c1-10-8-11(2-3-12(10)13)9-14-4-6-15-7-5-14/h2-3,8H,4-7,9,13H2,1H3
InChI Key:
KXVZIXBZVPWLFS-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1C)CN1CCSCC1
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.119g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.35g/mol
Monoisotopic Mass:
222.119g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties