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79345-23-6 | 2-Butanol, 1-(phenylthio)-
CAS No: 79345-23-6 Catalog No: AG005KAK MDL No:
Product Description
Catalog Number:
AG005KAK
Chemical Name:
2-Butanol, 1-(phenylthio)-
CAS Number:
79345-23-6
Molecular Formula:
C10H14OS
Molecular Weight:
182.2826
IUPAC Name:
1-phenylsulfanylbutan-2-ol
InChI:
InChI=1S/C10H14OS/c1-2-9(11)8-12-10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3
InChI Key:
KGDLDWVKFUCUME-UHFFFAOYSA-N
SMILES:
CCC(CSc1ccccc1)O
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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