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81902-21-8 | 1,2,4-Dithiazolidin-5-one, 4-(4-methylphenyl)-3-[(4-methylphenyl)imino]-
CAS No: 81902-21-8 Catalog No: AG004ZXU MDL No:
Product Description
Catalog Number:
AG004ZXU
Chemical Name:
1,2,4-Dithiazolidin-5-one, 4-(4-methylphenyl)-3-[(4-methylphenyl)imino]-
CAS Number:
81902-21-8
Molecular Formula:
C16H14N2OS2
Molecular Weight:
314.4252
IUPAC Name:
4-(4-methylphenyl)-5-(4-methylphenyl)imino-1,2,4-dithiazolidin-3-one
InChI:
InChI=1S/C16H14N2OS2/c1-11-3-7-13(8-4-11)17-15-18(16(19)21-20-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChI Key:
GNMMKTQWLRCGAE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N=c1ssc(=O)n1c1ccc(cc1)C
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.055g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.421g/mol
Monoisotopic Mass:
314.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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