200,000+ products from a single source!
sales@angenechem.com
92555-01-6 | 4-Thiazolidinone, 5-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylene]-2-thioxo-
CAS No: 92555-01-6 Catalog No: AG00JOXC MDL No:
Product Description
Catalog Number:
AG00JOXC
Chemical Name:
4-Thiazolidinone, 5-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylene]-2-thioxo-
CAS Number:
92555-01-6
Molecular Formula:
C15H13N3O2S2
Molecular Weight:
331.4126
IUPAC Name:
5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C15H13N3O2S2/c1-9-11(8-12-13(19)16-15(21)22-12)14(20)18(17(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,16,19,21)
InChI Key:
IJVPHSPNEPWLQS-UHFFFAOYSA-N
SMILES:
S=C1NC(=O)/C(=C\c2c(C)n(n(c2=O)c2ccccc2)C)/S1
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.045g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.408g/mol
Monoisotopic Mass:
331.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.