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1443351-70-9 | 4-(4-Iodobenzyl)thiomorpholine
CAS No: 1443351-70-9 Catalog No: AG01FF30 MDL No:
Product Description
Catalog Number:
AG01FF30
Chemical Name:
4-(4-Iodobenzyl)thiomorpholine
CAS Number:
1443351-70-9
Molecular Formula:
C11H14INS
Molecular Weight:
319.2050
IUPAC Name:
4-[(4-iodophenyl)methyl]thiomorpholine
InChI:
InChI=1S/C11H14INS/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9H2
InChI Key:
QISCCKFLSHMFSA-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)CN1CCSCC1
Properties
Complexity:
163
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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