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Home Other Building Blocks 5-ANISYLIDENE-2-THIOBARBITURIC ACID

5-ANISYLIDENE-2-THIOBARBITURIC ACID

CAS No.:
60045-61-6
Catalog Number:
AG00EOJ9
Molecular Formula:
C12H10N2O3S
Molecular Weight:
262.2844
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$175
- +
5g
1 week
United States
$505
- +
10g
1 week
United States
$932
- +
25g
1 week
United States
$1812
- +
Product Description
Catalog Number:
AG00EOJ9
Chemical Name:
5-ANISYLIDENE-2-THIOBARBITURIC ACID
CAS Number:
60045-61-6
Molecular Formula:
C12H10N2O3S
Molecular Weight:
262.2844
MDL Number:
MFCD00023802
IUPAC Name:
5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
InChI:
InChI=1S/C12H10N2O3S/c1-17-8-4-2-7(3-5-8)6-9-10(15)13-12(18)14-11(9)16/h2-6H,1H3,(H2,13,14,15,16,18)
InChI Key:
ZTXJEYAMFKSOIY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=C1C(=NC(=S)N=C1O)O
NSC Number:
95890
Properties
Complexity:
390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.041g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
262.283g/mol
Monoisotopic Mass:
262.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Discovery of (Z)-5-(4-methoxybenzylidene)thiazolidine-2,4-dione, a readily available and orally active glitazone for the treatment of concanavalin A-induced acute liver injury of BALB/c mice. Journal of medicinal chemistry 20100114
Synthesis of barbiturate-based methionine aminopeptidase-1 inhibitors. Bioorganic & medicinal chemistry letters 20080401
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties