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89844-75-7 | Benzo[c]thiophene-1(3H)-thione, 3,3-bis(3-methylphenyl)-
CAS No: 89844-75-7 Catalog No: AG003WVJ MDL No:
Product Description
Catalog Number:
AG003WVJ
Chemical Name:
Benzo[c]thiophene-1(3H)-thione, 3,3-bis(3-methylphenyl)-
CAS Number:
89844-75-7
Molecular Formula:
C22H18S2
Molecular Weight:
346.5083
IUPAC Name:
3,3-bis(3-methylphenyl)-2-benzothiophene-1-thione
InChI:
InChI=1S/C22H18S2/c1-15-7-5-9-17(13-15)22(18-10-6-8-16(2)14-18)20-12-4-3-11-19(20)21(23)24-22/h3-14H,1-2H3
InChI Key:
ZVLJPPMNPFTQDY-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C1(SC(=S)c2c1cccc2)c1cccc(c1)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.085g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.506g/mol
Monoisotopic Mass:
346.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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