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33532-16-0 | 2H-Pyran-2-carboxaldehyde, 2,5-bis(butylthio)-3,4-dihydro-
CAS No: 33532-16-0 Catalog No: AG007EYV MDL No:
Product Description
Catalog Number:
AG007EYV
Chemical Name:
2H-Pyran-2-carboxaldehyde, 2,5-bis(butylthio)-3,4-dihydro-
CAS Number:
33532-16-0
Molecular Formula:
C14H24O2S2
Molecular Weight:
288.4692
IUPAC Name:
2,5-bis(butylsulfanyl)-3,4-dihydropyran-2-carbaldehyde
InChI:
InChI=1S/C14H24O2S2/c1-3-5-9-17-13-7-8-14(12-15,16-11-13)18-10-6-4-2/h11-12H,3-10H2,1-2H3
InChI Key:
ZEYCVTHRVDUVBT-UHFFFAOYSA-N
SMILES:
CCCCSC1=COC(CC1)(C=O)SCCCC
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.464g/mol
Monoisotopic Mass:
288.122g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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