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116432-84-9 | Benzene, 1,4-bis[(4-chlorophenyl)thio]-2-methyl-
CAS No: 116432-84-9 Catalog No: AG000CI5 MDL No:
Product Description
Catalog Number:
AG000CI5
Chemical Name:
Benzene, 1,4-bis[(4-chlorophenyl)thio]-2-methyl-
CAS Number:
116432-84-9
Molecular Formula:
C19H14Cl2S2
Molecular Weight:
377.3505
IUPAC Name:
1,4-bis[(4-chlorophenyl)sulfanyl]-2-methylbenzene
InChI:
InChI=1S/C19H14Cl2S2/c1-13-12-18(22-16-6-2-14(20)3-7-16)10-11-19(13)23-17-8-4-15(21)5-9-17/h2-12H,1H3
InChI Key:
YZKHMYZSGZDZFX-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Sc1ccc(c(c1)C)Sc1ccc(cc1)Cl
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.991g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.341g/mol
Monoisotopic Mass:
375.991g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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