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110932-40-6 | (5E)-5-(BIPHENYL-4-YLMETHYLENE)-2-MERCAPTO-1,3-THIAZOL-4(5H)-ONE
CAS No: 110932-40-6 Catalog No: AG007TXA MDL No:MFCD04969056
Product Description
Catalog Number:
AG007TXA
Chemical Name:
(5E)-5-(BIPHENYL-4-YLMETHYLENE)-2-MERCAPTO-1,3-THIAZOL-4(5H)-ONE
CAS Number:
110932-40-6
Molecular Formula:
C16H11NOS2
Molecular Weight:
297.3946
MDL Number:
MFCD04969056
IUPAC Name:
(5E)-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C16H11NOS2/c18-15-14(20-16(19)17-15)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H,(H,17,18,19)/b14-10+
InChI Key:
VRNCZWQQVCTSAL-GXDHUFHOSA-N
SMILES:
O=C1N=C(S/C/1=C/c1ccc(cc1)c1ccccc1)S
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
297.028g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.39g/mol
Monoisotopic Mass:
297.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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