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42779-10-2 | 2-(ISOBUTYLTHIO)ETHANOL
CAS No: 42779-10-2 Catalog No: AG003F2S MDL No:MFCD00014040
Product Description
Catalog Number:
AG003F2S
Chemical Name:
2-(ISOBUTYLTHIO)ETHANOL
CAS Number:
42779-10-2
MDL Number:
MFCD00014040
IUPAC Name:
2-(2-methylpropylsulfanyl)ethanol
InChI:
InChI=1S/C6H14OS/c1-6(2)5-8-4-3-7/h6-7H,3-5H2,1-2H3
InChI Key:
PSCYOFJZGIAXOL-UHFFFAOYSA-N
Properties
Complexity:
45.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.077g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
134.237g/mol
Monoisotopic Mass:
134.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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