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102211-98-3 | 1-Butanol, 3-(phenylthio)-
CAS No: 102211-98-3 Catalog No: AG0006Y7 MDL No:
Product Description
Catalog Number:
AG0006Y7
Chemical Name:
1-Butanol, 3-(phenylthio)-
CAS Number:
102211-98-3
Molecular Formula:
C10H14OS
Molecular Weight:
182.2826
IUPAC Name:
3-phenylsulfanylbutan-1-ol
InChI:
InChI=1S/C10H14OS/c1-9(7-8-11)12-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChI Key:
KLFUYDKDGMWCOQ-UHFFFAOYSA-N
SMILES:
OCCC(Sc1ccccc1)C
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:
2.5
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