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1141-08-8 | Methanethione, bis(4-methylphenyl)-
CAS No: 1141-08-8 Catalog No: AG000AKI MDL No:
Product Description
Catalog Number:
AG000AKI
Chemical Name:
Methanethione, bis(4-methylphenyl)-
CAS Number:
1141-08-8
Molecular Formula:
C15H14S
Molecular Weight:
226.3367
IUPAC Name:
bis(4-methylphenyl)methanethione
InChI:
InChI=1S/C15H14S/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChI Key:
XPDUQVJQNNHJFA-UHFFFAOYSA-N
SMILES:
S=C(c1ccc(cc1)C)c1ccc(cc1)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.337g/mol
Monoisotopic Mass:
226.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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