Home Other Building Blocks 3-[(oxan-4-ylsulfanyl)methyl]aniline

3-[(oxan-4-ylsulfanyl)methyl]aniline

CAS No.:
1311318-37-2
Catalog Number:
AG01AIU5
Molecular Formula:
C12H17NOS
Molecular Weight:
223.3345
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Product Description
Catalog Number:
AG01AIU5
Chemical Name:
3-[(oxan-4-ylsulfanyl)methyl]aniline
CAS Number:
1311318-37-2
Molecular Formula:
C12H17NOS
Molecular Weight:
223.3345
MDL Number:
MFCD17268422
IUPAC Name:
3-(oxan-4-ylsulfanylmethyl)aniline
InChI:
InChI=1S/C12H17NOS/c13-11-3-1-2-10(8-11)9-15-12-4-6-14-7-5-12/h1-3,8,12H,4-7,9,13H2
InChI Key:
DVFCAYUNLOGXNC-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)CSC1CCOCC1
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.103g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.334g/mol
Monoisotopic Mass:
223.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties