200,000+ products from a single source!
sales@angenechem.com
101439-76-3 | Benzoic acid, 4-[4-oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl]-
CAS No: 101439-76-3 Catalog No: AG0004H7 MDL No:
Product Description
Catalog Number:
AG0004H7
Chemical Name:
Benzoic acid, 4-[4-oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl]-
CAS Number:
101439-76-3
Molecular Formula:
C17H11NO3S2
Molecular Weight:
341.4041
IUPAC Name:
4-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
InChI:
InChI=1S/C17H11NO3S2/c19-15-14(10-11-4-2-1-3-5-11)23-17(22)18(15)13-8-6-12(7-9-13)16(20)21/h1-10H,(H,20,21)
InChI Key:
HJGHAHOKZBWVGK-UHFFFAOYSA-N
SMILES:
S=C1SC(=Cc2ccccc2)C(=O)N1c1ccc(cc1)C(=O)O
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.018g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.399g/mol
Monoisotopic Mass:
341.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.