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51830-50-3 | (2,2-Diethoxyethyl);(p-tolyl);sulfane
CAS No: 51830-50-3 Catalog No: AG003TJ4 MDL No:MFCD00051603
Product Description
Catalog Number:
AG003TJ4
Chemical Name:
(2,2-Diethoxyethyl);(p-tolyl);sulfane
CAS Number:
51830-50-3
Molecular Formula:
C13H20O2S
Molecular Weight:
240.3617
MDL Number:
MFCD00051603
IUPAC Name:
1-(2,2-diethoxyethylsulfanyl)-4-methylbenzene
InChI:
InChI=1S/C13H20O2S/c1-4-14-13(15-5-2)10-16-12-8-6-11(3)7-9-12/h6-9,13H,4-5,10H2,1-3H3
InChI Key:
CZOGWUVOCUTQOV-UHFFFAOYSA-N
SMILES:
CCOC(CSc1ccc(cc1)C)OCC
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.118g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.361g/mol
Monoisotopic Mass:
240.118g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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