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1443327-68-1 | 4-(3-Carboxaldehydebenzyl)thiomorpholine
CAS No: 1443327-68-1 Catalog No: AG01FC1P MDL No:
Product Description
Catalog Number:
AG01FC1P
Chemical Name:
4-(3-Carboxaldehydebenzyl)thiomorpholine
CAS Number:
1443327-68-1
Molecular Formula:
C12H15NOS
Molecular Weight:
221.3186
IUPAC Name:
3-(thiomorpholin-4-ylmethyl)benzaldehyde
InChI:
InChI=1S/C12H15NOS/c14-10-12-3-1-2-11(8-12)9-13-4-6-15-7-5-13/h1-3,8,10H,4-7,9H2
InChI Key:
ZFIRBKPGMZDOEF-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)CN1CCSCC1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.318g/mol
Monoisotopic Mass:
221.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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