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Home > Pyridines > 1022507-42-1
1022507-42-1 | 2-Pyridinepropanethiol
CAS No: 1022507-42-1 Catalog No: AG000716 MDL No:
Product Description
Catalog Number:
AG000716
Chemical Name:
2-Pyridinepropanethiol
CAS Number:
1022507-42-1
Molecular Formula:
C8H11NS
Molecular Weight:
153.2446
IUPAC Name:
3-pyridin-2-ylpropane-1-thiol
InChI:
InChI=1S/C8H11NS/c10-7-3-5-8-4-1-2-6-9-8/h1-2,4,6,10H,3,5,7H2
InChI Key:
OTJZEVPQOMSIJB-UHFFFAOYSA-N
SMILES:
SCCCc1ccccn1
Properties
Complexity:
85.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.061g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.243g/mol
Monoisotopic Mass:
153.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
13.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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