200,000+ products from a single source!
sales@angenechem.com
478078-11-4 | (5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-2-[(4H-1,2,4-triazol-4-yl)imino]-1,3-thiazolidin-4-one
CAS No: 478078-11-4 Catalog No: AG00IVN4 MDL No:MFCD02570990
Product Description
Catalog Number:
AG00IVN4
Chemical Name:
(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-2-[(4H-1,2,4-triazol-4-yl)imino]-1,3-thiazolidin-4-one
CAS Number:
478078-11-4
Molecular Formula:
C14H13N5O2S
Molecular Weight:
315.3503
MDL Number:
MFCD02570990
IUPAC Name:
3-ethyl-5-[(4-hydroxyphenyl)methylidene]-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C14H13N5O2S/c1-2-19-13(21)12(7-10-3-5-11(20)6-4-10)22-14(19)17-18-8-15-16-9-18/h3-9,20H,2H2,1H3
InChI Key:
KEMXKYBGSBGSHF-UHFFFAOYSA-N
SMILES:
CCN1C(=Nn2cnnc2)S/C(=C\c2ccc(cc2)O)/C1=O
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.351g/mol
Monoisotopic Mass:
315.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.