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160295-00-1 | 4-(2-Iodobenzyl)thiomorpholine
CAS No: 160295-00-1 Catalog No: AG01FF36 MDL No:
Product Description
Catalog Number:
AG01FF36
Chemical Name:
4-(2-Iodobenzyl)thiomorpholine
CAS Number:
160295-00-1
Molecular Formula:
C11H14INS
Molecular Weight:
319.2050
IUPAC Name:
4-[(2-iodophenyl)methyl]thiomorpholine
InChI:
InChI=1S/C11H14INS/c12-11-4-2-1-3-10(11)9-13-5-7-14-8-6-13/h1-4H,5-9H2
InChI Key:
IGYNNFFBWKJIIR-UHFFFAOYSA-N
SMILES:
Ic1ccccc1CN1CCSCC1
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.204g/mol
Monoisotopic Mass:
318.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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