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Home > Aldehydes > 1698278-04-4
1698278-04-4 | 2-(1,4-thiazepan-4-yl)pyridine-3-carbaldehyde
CAS No: 1698278-04-4 Catalog No: AG01C8RN MDL No:MFCD31443218
Product Description
Catalog Number:
AG01C8RN
Chemical Name:
2-(1,4-thiazepan-4-yl)pyridine-3-carbaldehyde
CAS Number:
1698278-04-4
Molecular Formula:
C11H14N2OS
Molecular Weight:
222.3067
MDL Number:
MFCD31443218
IUPAC Name:
2-(1,4-thiazepan-4-yl)pyridine-3-carbaldehyde
InChI:
InChI=1S/C11H14N2OS/c14-9-10-3-1-4-12-11(10)13-5-2-7-15-8-6-13/h1,3-4,9H,2,5-8H2
InChI Key:
HPULPCRZCAMCCH-UHFFFAOYSA-N
SMILES:
O=Cc1cccnc1N1CCSCCC1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.306g/mol
Monoisotopic Mass:
222.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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