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Home Other Building Blocks 5-AMINO-3-THIOXO-3H-(1,2)DITHIOLE-4-CARBOXYLIC ACID ETHYL ESTER

5-AMINO-3-THIOXO-3H-(1,2)DITHIOLE-4-CARBOXYLIC ACID ETHYL ESTER

CAS No.:
3354-38-9
Catalog Number:
AG00C8VB
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$77
- +
5g
1 week
United States
$135
- +
Product Description
Catalog Number:
AG00C8VB
Chemical Name:
5-AMINO-3-THIOXO-3H-(1,2)DITHIOLE-4-CARBOXYLIC ACID ETHYL ESTER
CAS Number:
3354-38-9
MDL Number:
MFCD00607131
IUPAC Name:
ethyl 3-amino-5-sulfanylidenedithiole-4-carboxylate
InChI:
InChI=1S/C6H7NO2S3/c1-2-9-5(8)3-4(7)11-12-6(3)10/h2,7H2,1H3
InChI Key:
AJKJMMOOZCTJMG-UHFFFAOYSA-N
NSC Number:
197049
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.964g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.307g/mol
Monoisotopic Mass:
220.964g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis, biological evaluation, and structure-activity relationships of dithiolethiones as inducers of cytoprotective phase 2 enzymes. Journal of medicinal chemistry 20100624
Mining the NCI antiviral compounds for HIV-1 integrase inhibitors. Bioorganic & medicinal chemistry 20060601
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