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128084-17-3 | 1,3-Dithiane-2-butanal, 2-methyl-
CAS No: 128084-17-3 Catalog No: AG000XSN MDL No:
Product Description
Catalog Number:
AG000XSN
Chemical Name:
1,3-Dithiane-2-butanal, 2-methyl-
CAS Number:
128084-17-3
Molecular Formula:
C9H16OS2
Molecular Weight:
204.3527
IUPAC Name:
4-(2-methyl-1,3-dithian-2-yl)butanal
InChI:
InChI=1S/C9H16OS2/c1-9(5-2-3-6-10)11-7-4-8-12-9/h6H,2-5,7-8H2,1H3
InChI Key:
LTXCSHLSHQUTNN-UHFFFAOYSA-N
SMILES:
O=CCCCC1(C)SCCCS1
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.346g/mol
Monoisotopic Mass:
204.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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