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112544-54-4 | 3-Methyl-4-{4-[4-(3-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]phenyl}-2,3-dihydro-1,3-thiazole-2-thione
CAS No: 112544-54-4 Catalog No: AG01F2HA MDL No:
Product Description
Catalog Number:
AG01F2HA
Chemical Name:
3-Methyl-4-{4-[4-(3-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]phenyl}-2,3-dihydro-1,3-thiazole-2-thione
CAS Number:
112544-54-4
Molecular Formula:
C20H16N2OS4
Molecular Weight:
428.6138
IUPAC Name:
3-methyl-4-[4-[4-(3-methyl-2-sulfanylidene-1,3-thiazol-4-yl)phenoxy]phenyl]-1,3-thiazole-2-thione
InChI:
InChI=1S/C20H16N2OS4/c1-21-17(11-26-19(21)24)13-3-7-15(8-4-13)23-16-9-5-14(6-10-16)18-12-27-20(25)22(18)2/h3-12H,1-2H3
InChI Key:
AGMIWLREKAWRBO-UHFFFAOYSA-N
SMILES:
S=c1scc(n1C)c1ccc(cc1)Oc1ccc(cc1)c1csc(=S)n1C
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.015g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.601g/mol
Monoisotopic Mass:
428.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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