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113509-20-9 | 1,3-Dithiolane, 2-(3,5-dimethylphenyl)-
CAS No: 113509-20-9 Catalog No: AG0008UO MDL No:
Product Description
Catalog Number:
AG0008UO
Chemical Name:
1,3-Dithiolane, 2-(3,5-dimethylphenyl)-
CAS Number:
113509-20-9
Molecular Formula:
C11H14S2
Molecular Weight:
210.3589
IUPAC Name:
2-(3,5-dimethylphenyl)-1,3-dithiolane
InChI:
InChI=1S/C11H14S2/c1-8-5-9(2)7-10(6-8)11-12-3-4-13-11/h5-7,11H,3-4H2,1-2H3
InChI Key:
QBDLCCKCTUVOCL-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1)C)C1SCCS1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.353g/mol
Monoisotopic Mass:
210.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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