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169172-96-7 | Benzene, [(ethylthio)methoxymethyl]-
CAS No: 169172-96-7 Catalog No: AG001YIZ MDL No:
Product Description
Catalog Number:
AG001YIZ
Chemical Name:
Benzene, [(ethylthio)methoxymethyl]-
CAS Number:
169172-96-7
Molecular Formula:
C10H14OS
Molecular Weight:
182.2826
IUPAC Name:
ethylsulfanylmethoxymethylbenzene
InChI:
InChI=1S/C10H14OS/c1-2-12-9-11-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key:
XSPRSCZQJYCQQY-UHFFFAOYSA-N
SMILES:
CCSCOCc1ccccc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
182.281g/mol
Monoisotopic Mass:
182.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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