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10160-69-7 | Ethanethiol, 2-(2-phenylethoxy)-
CAS No: 10160-69-7 Catalog No: AG0004XQ MDL No:
Product Description
Catalog Number:
AG0004XQ
Chemical Name:
Ethanethiol, 2-(2-phenylethoxy)-
CAS Number:
10160-69-7
Molecular Formula:
C10H14OS
Molecular Weight:
182.2826
IUPAC Name:
2-(2-phenylethoxy)ethanethiol
InChI:
InChI=1S/C10H14OS/c12-9-8-11-7-6-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChI Key:
HIRLXTIKJUQGLD-UHFFFAOYSA-N
SMILES:
SCCOCCc1ccccc1
Properties
Complexity:
100
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:
5
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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