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26419-66-9 | 1,3-Dithiolane-2-carboxaldehyde, 2-methyl-
CAS No: 26419-66-9 Catalog No: AG002T4T MDL No:
Product Description
Catalog Number:
AG002T4T
Chemical Name:
1,3-Dithiolane-2-carboxaldehyde, 2-methyl-
CAS Number:
26419-66-9
Molecular Formula:
C5H8OS2
Molecular Weight:
148.2464
IUPAC Name:
2-methyl-1,3-dithiolane-2-carbaldehyde
InChI:
InChI=1S/C5H8OS2/c1-5(4-6)7-2-3-8-5/h4H,2-3H2,1H3
InChI Key:
CNXDLZCBSCSSJC-UHFFFAOYSA-N
SMILES:
O=CC1(C)SCCS1
Properties
Complexity:
96.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.002g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.238g/mol
Monoisotopic Mass:
148.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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