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69977-55-5 | 2-methyl-1-(methylsulfanylmethylsulfinyl)propane
CAS No: 69977-55-5 Catalog No: AG005GL7 MDL No:
Product Description
Catalog Number:
AG005GL7
Chemical Name:
2-methyl-1-(methylsulfanylmethylsulfinyl)propane
CAS Number:
69977-55-5
Molecular Formula:
C6H14OS2
Molecular Weight:
166.3048
IUPAC Name:
2-methyl-1-(methylsulfanylmethylsulfinyl)propane
InChI:
InChI=1S/C6H14OS2/c1-6(2)4-9(7)5-8-3/h6H,4-5H2,1-3H3
InChI Key:
ITDIUDBFGBUKSW-UHFFFAOYSA-N
SMILES:
CSCS(=O)CC(C)C
NSC Number:
357034
Properties
Complexity:
91.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.049g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.297g/mol
Monoisotopic Mass:
166.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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