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Home > Pyridines > 865074-58-4
865074-58-4 | 1-(Pyridin-4-yl)heptane-3-thiol
CAS No: 865074-58-4 Catalog No: AG01EXXL MDL No:
Product Description
Catalog Number:
AG01EXXL
Chemical Name:
1-(Pyridin-4-yl)heptane-3-thiol
CAS Number:
865074-58-4
Molecular Formula:
C12H19NS
Molecular Weight:
209.3510
IUPAC Name:
1-pyridin-4-ylheptane-3-thiol
InChI:
InChI=1S/C12H19NS/c1-2-3-4-12(14)6-5-11-7-9-13-10-8-11/h7-10,12,14H,2-6H2,1H3
InChI Key:
HKVHBILRGYVQCW-UHFFFAOYSA-N
SMILES:
CCCCC(CCc1ccncc1)S
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.124g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.351g/mol
Monoisotopic Mass:
209.124g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
13.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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