200,000+ products from a single source!
sales@angenechem.com
73681-09-1 | 5-(5-IODOVANILLYLIDENE)-2-THIOBARBITURIC ACID
CAS No: 73681-09-1 Catalog No: AG005XYO MDL No:
Product Description
Catalog Number:
AG005XYO
Chemical Name:
5-(5-IODOVANILLYLIDENE)-2-THIOBARBITURIC ACID
CAS Number:
73681-09-1
Molecular Formula:
C12H9IN2O4S
Molecular Weight:
404.1803
IUPAC Name:
5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
InChI:
InChI=1S/C12H9IN2O4S/c1-19-8-4-5(3-7(13)9(8)16)2-6-10(17)14-12(20)15-11(6)18/h2-4,16H,1H3,(H2,14,15,17,18,20)
InChI Key:
DTPKHLIHZPJSFQ-UHFFFAOYSA-N
SMILES:
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1O)I
NSC Number:
90733
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.933g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
404.178g/mol
Monoisotopic Mass:
403.933g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.