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478077-87-1 | 3-phenyl-5-[(thiophen-2-yl)methylidene]-2-[(4H-1,2,4-triazol-4-yl)imino]-1,3-thiazolidin-4-one
CAS No: 478077-87-1 Catalog No: AG00IYSO MDL No:MFCD02570967
Product Description
Catalog Number:
AG00IYSO
Chemical Name:
3-phenyl-5-[(thiophen-2-yl)methylidene]-2-[(4H-1,2,4-triazol-4-yl)imino]-1,3-thiazolidin-4-one
CAS Number:
478077-87-1
Molecular Formula:
C16H11N5OS2
Molecular Weight:
353.4214
MDL Number:
MFCD02570967
IUPAC Name:
3-phenyl-5-(thiophen-2-ylmethylidene)-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C16H11N5OS2/c22-15-14(9-13-7-4-8-23-13)24-16(19-20-10-17-18-11-20)21(15)12-5-2-1-3-6-12/h1-11H
InChI Key:
BONRPASABPKPIG-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2cccs2)SC(=Nn2cnnc2)N1c1ccccc1
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.041g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.418g/mol
Monoisotopic Mass:
353.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.4
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