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33406-20-1 | 2-ethyl-1,3-dithiolane-2-carbaldehyde
CAS No: 33406-20-1 Catalog No: AG019WCR MDL No:MFCD12912972
Product Description
Catalog Number:
AG019WCR
Chemical Name:
2-ethyl-1,3-dithiolane-2-carbaldehyde
CAS Number:
33406-20-1
Molecular Formula:
C6H10OS2
Molecular Weight:
162.2730
MDL Number:
MFCD12912972
IUPAC Name:
2-ethyl-1,3-dithiolane-2-carbaldehyde
InChI:
InChI=1S/C6H10OS2/c1-2-6(5-7)8-3-4-9-6/h5H,2-4H2,1H3
InChI Key:
UBAXKQCPVKSMNY-UHFFFAOYSA-N
SMILES:
CCC1(SCCS1)C=O
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.017g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.265g/mol
Monoisotopic Mass:
162.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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