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Home > Pyridines > 830320-24-6
830320-24-6 | 5-Hexen-1-ol, 5-(phenylthio)-6-(3-pyridinyl)-, (5Z)-
CAS No: 830320-24-6 Catalog No: AG004YBI MDL No:
Product Description
Catalog Number:
AG004YBI
Chemical Name:
5-Hexen-1-ol, 5-(phenylthio)-6-(3-pyridinyl)-, (5Z)-
CAS Number:
830320-24-6
Molecular Formula:
C17H19NOS
Molecular Weight:
285.4039
IUPAC Name:
5-phenylsulfanyl-6-pyridin-3-ylhex-5-en-1-ol
InChI:
InChI=1S/C17H19NOS/c19-12-5-4-10-17(13-15-7-6-11-18-14-15)20-16-8-2-1-3-9-16/h1-3,6-9,11,13-14,19H,4-5,10,12H2
InChI Key:
JJBUIUVHEHHSMV-UHFFFAOYSA-N
SMILES:
OCCCC/C(=C/c1cccnc1)/Sc1ccccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.405g/mol
Monoisotopic Mass:
285.119g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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