200,000+ products from a single source!
sales@angenechem.com
331261-30-4 | (5E)-5-(3-hydroxy-4-methoxybenzylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one
CAS No: 331261-30-4 Catalog No: AG00C5WZ MDL No:MFCD00617390
Product Description
Catalog Number:
AG00C5WZ
Chemical Name:
(5E)-5-(3-hydroxy-4-methoxybenzylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one
CAS Number:
331261-30-4
Molecular Formula:
C12H11NO3S2
Molecular Weight:
281.3506
MDL Number:
MFCD00617390
IUPAC Name:
5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H11NO3S2/c1-13-11(15)10(18-12(13)17)6-7-3-4-9(16-2)8(14)5-7/h3-6,14H,1-2H3
InChI Key:
FYJSHHXPSLMVKG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1O)/C=C\1/SC(=S)N(C1=O)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.018g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.344g/mol
Monoisotopic Mass:
281.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.