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138470-24-3 | 1,3-Oxathiane, 2-(2-methylphenyl)-
CAS No: 138470-24-3 Catalog No: AG00197S MDL No:
Product Description
Catalog Number:
AG00197S
Chemical Name:
1,3-Oxathiane, 2-(2-methylphenyl)-
CAS Number:
138470-24-3
Molecular Formula:
C11H14OS
Molecular Weight:
194.2933
IUPAC Name:
2-(2-methylphenyl)-1,3-oxathiane
InChI:
InChI=1S/C11H14OS/c1-9-5-2-3-6-10(9)11-12-7-4-8-13-11/h2-3,5-6,11H,4,7-8H2,1H3
InChI Key:
QTQAZXXBPPZPIX-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C1OCCCS1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.292g/mol
Monoisotopic Mass:
194.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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