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827024-51-1 | 2-Hexanol, 4-(methylthio)-
CAS No: 827024-51-1 Catalog No: AG004WG7 MDL No:
Product Description
Catalog Number:
AG004WG7
Chemical Name:
2-Hexanol, 4-(methylthio)-
CAS Number:
827024-51-1
Molecular Formula:
C7H16OS
Molecular Weight:
148.2663
IUPAC Name:
4-methylsulfanylhexan-2-ol
InChI:
InChI=1S/C7H16OS/c1-4-7(9-3)5-6(2)8/h6-8H,4-5H2,1-3H3
InChI Key:
AIKJBMKAPNTJCP-UHFFFAOYSA-N
SMILES:
CCC(CC(O)C)SC
Properties
Complexity:
65.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.092g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.264g/mol
Monoisotopic Mass:
148.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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