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849440-16-0 | 1-Hexanol, 3-methyl-3-[(phenylmethyl)thio]-, (3R)-
CAS No: 849440-16-0 Catalog No: AG004V6D MDL No:
Product Description
Catalog Number:
AG004V6D
Chemical Name:
1-Hexanol, 3-methyl-3-[(phenylmethyl)thio]-, (3R)-
CAS Number:
849440-16-0
Molecular Formula:
C14H22OS
Molecular Weight:
238.3889
IUPAC Name:
(3R)-3-benzylsulfanyl-3-methylhexan-1-ol
InChI:
InChI=1S/C14H22OS/c1-3-9-14(2,10-11-15)16-12-13-7-5-4-6-8-13/h4-8,15H,3,9-12H2,1-2H3/t14-/m1/s1
InChI Key:
WZFLSXRVLNWUNP-CQSZACIVSA-N
SMILES:
CCC[C@@](SCc1ccccc1)(CCO)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
238.139g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.389g/mol
Monoisotopic Mass:
238.139g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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