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88180-48-7 | 1,3-Dithiolane, 2-methoxy-2-(4-methoxyphenyl)-
CAS No: 88180-48-7 Catalog No: AG004CMK MDL No:
Product Description
Catalog Number:
AG004CMK
Chemical Name:
1,3-Dithiolane, 2-methoxy-2-(4-methoxyphenyl)-
CAS Number:
88180-48-7
Molecular Formula:
C11H14O2S2
Molecular Weight:
242.3577
IUPAC Name:
2-methoxy-2-(4-methoxyphenyl)-1,3-dithiolane
InChI:
InChI=1S/C11H14O2S2/c1-12-10-5-3-9(4-6-10)11(13-2)14-7-8-15-11/h3-6H,7-8H2,1-2H3
InChI Key:
DMDBJAOHCOXRTP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(OC)SCCS1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.351g/mol
Monoisotopic Mass:
242.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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