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101212-36-6 | 1-Propanol, 2-methyl-3-(phenylthio)-, (2R)-
CAS No: 101212-36-6 Catalog No: AG0003Z5 MDL No:
Product Description
Catalog Number:
AG0003Z5
Chemical Name:
1-Propanol, 2-methyl-3-(phenylthio)-, (2R)-
CAS Number:
101212-36-6
Molecular Formula:
C10H14OS
Molecular Weight:
182.2826
IUPAC Name:
(2R)-2-methyl-3-phenylsulfanylpropan-1-ol
InChI:
InChI=1S/C10H14OS/c1-9(7-11)8-12-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m1/s1
InChI Key:
FSBDYYMRMLIABE-SECBINFHSA-N
SMILES:
OC[C@H](CSc1ccccc1)C
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
182.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.281g/mol
Monoisotopic Mass:
182.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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