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478078-09-0 | 3-ethyl-5-[(thiophen-2-yl)methylidene]-2-[(4H-1,2,4-triazol-4-yl)imino]-1,3-thiazolidin-4-one
CAS No: 478078-09-0 Catalog No: AG00IYSS MDL No:MFCD02570988
Product Description
Catalog Number:
AG00IYSS
Chemical Name:
3-ethyl-5-[(thiophen-2-yl)methylidene]-2-[(4H-1,2,4-triazol-4-yl)imino]-1,3-thiazolidin-4-one
CAS Number:
478078-09-0
Molecular Formula:
C12H11N5OS2
Molecular Weight:
305.3786
MDL Number:
MFCD02570988
IUPAC Name:
3-ethyl-5-(thiophen-2-ylmethylidene)-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H11N5OS2/c1-2-17-11(18)10(6-9-4-3-5-19-9)20-12(17)15-16-7-13-14-8-16/h3-8H,2H2,1H3
InChI Key:
XTJRUCJALQECIZ-UHFFFAOYSA-N
SMILES:
CCN1C(=Nn2cnnc2)SC(=Cc2cccs2)C1=O
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.374g/mol
Monoisotopic Mass:
305.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.2
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