Home Other Building Blocks 3-methyl-4-(thiomorpholin-4-yl)aniline

3-methyl-4-(thiomorpholin-4-yl)aniline

CAS No.:
1094646-31-7
Catalog Number:
AG01A8DK
Molecular Formula:
C11H16N2S
Molecular Weight:
208.3231
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Product Description
Catalog Number:
AG01A8DK
Chemical Name:
3-methyl-4-(thiomorpholin-4-yl)aniline
CAS Number:
1094646-31-7
Molecular Formula:
C11H16N2S
Molecular Weight:
208.3231
MDL Number:
MFCD11214021
IUPAC Name:
3-methyl-4-thiomorpholin-4-ylaniline
InChI:
InChI=1S/C11H16N2S/c1-9-8-10(12)2-3-11(9)13-4-6-14-7-5-13/h2-3,8H,4-7,12H2,1H3
InChI Key:
XVWKDMQTVZABID-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)C)N1CCSCC1
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.103g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.323g/mol
Monoisotopic Mass:
208.103g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties