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1141-07-7 | Methanethione, (4-methoxyphenyl)phenyl-
CAS No: 1141-07-7 Catalog No: AG000AKJ MDL No:
Product Description
Catalog Number:
AG000AKJ
Chemical Name:
Methanethione, (4-methoxyphenyl)phenyl-
CAS Number:
1141-07-7
Molecular Formula:
C14H12OS
Molecular Weight:
228.3095
IUPAC Name:
(4-methoxyphenyl)-phenylmethanethione
InChI:
InChI=1S/C14H12OS/c1-15-13-9-7-12(8-10-13)14(16)11-5-3-2-4-6-11/h2-10H,1H3
InChI Key:
GAHFJPBLVKJKRX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=S)c1ccccc1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.309g/mol
Monoisotopic Mass:
228.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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