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Home > Aldehydes > 120983-16-6
120983-16-6 | Acetaldehyde, (2-propenylthio)-
CAS No: 120983-16-6 Catalog No: AG007PCM MDL No:
Product Description
Catalog Number:
AG007PCM
Chemical Name:
Acetaldehyde, (2-propenylthio)-
CAS Number:
120983-16-6
Molecular Formula:
C5H8OS
Molecular Weight:
116.1814
IUPAC Name:
2-prop-2-enylsulfanylacetaldehyde
InChI:
InChI=1S/C5H8OS/c1-2-4-7-5-3-6/h2-3H,1,4-5H2
InChI Key:
UDPDMDAUIWISCF-UHFFFAOYSA-N
SMILES:
C=CCSCC=O
Properties
Complexity:
61.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.03g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.178g/mol
Monoisotopic Mass:
116.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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