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1613-45-2 | Propane, 1-(ethylthio)-2-methyl-
CAS No: 1613-45-2 Catalog No: AG001SB6 MDL No:
Product Description
Catalog Number:
AG001SB6
Chemical Name:
Propane, 1-(ethylthio)-2-methyl-
CAS Number:
1613-45-2
Molecular Formula:
C6H14S
Molecular Weight:
118.2404
IUPAC Name:
1-ethylsulfanyl-2-methylpropane
InChI:
InChI=1S/C6H14S/c1-4-7-5-6(2)3/h6H,4-5H2,1-3H3
InChI Key:
OIRKGXWQBSPXLQ-UHFFFAOYSA-N
SMILES:
CCSCC(C)C
Properties
Complexity:
33.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.082g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.238g/mol
Monoisotopic Mass:
118.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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