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Home Other Building Blocks 2,3-dihydro-6,7-dimethyl-2-thioxo-1H-pteridin-4-one

2,3-dihydro-6,7-dimethyl-2-thioxo-1H-pteridin-4-one

CAS No.:
54030-51-2
Catalog Number:
AG00DU62
Molecular Formula:
C8H8N4OS
Molecular Weight:
208.2403
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$178
- +
5g
1 week
United States
$599
- +
10g
1 week
United States
$823
- +
25g
1 week
United States
$1216
- +
Product Description
Catalog Number:
AG00DU62
Chemical Name:
2,3-dihydro-6,7-dimethyl-2-thioxo-1H-pteridin-4-one
CAS Number:
54030-51-2
Molecular Formula:
C8H8N4OS
Molecular Weight:
208.2403
MDL Number:
MFCD00023901
IUPAC Name:
6,7-dimethyl-2-sulfanylidene-1H-pteridin-4-one
InChI:
InChI=1S/C8H8N4OS/c1-3-4(2)10-6-5(9-3)7(13)12-8(14)11-6/h1-2H3,(H2,10,11,12,13,14)
InChI Key:
FMPVXDGAZOSEMT-UHFFFAOYSA-N
SMILES:
Sc1nc(O)c2c(n1)nc(c(n2)C)C
EC Number:
258-932-0
UNII:
4LXY3IDC5Z
NSC Number:
45779
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.042g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
208.239g/mol
Monoisotopic Mass:
208.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Discovery of HIV-1 integrase inhibitors: pharmacophore mapping, virtual screening, molecular docking, synthesis, and biological evaluation. Chemical biology & drug design 20140201
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