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Home Other Building Blocks 4,6-Dihydroxy-2-methylthiopyrimidine

4,6-Dihydroxy-2-methylthiopyrimidine

CAS No.:
1979-98-2
Catalog Number:
AG002B5K
Molecular Formula:
C5H6N2O2S
Molecular Weight:
158.1783
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG002B5K
Chemical Name:
4,6-Dihydroxy-2-methylthiopyrimidine
CAS Number:
1979-98-2
Molecular Formula:
C5H6N2O2S
Molecular Weight:
158.1783
MDL Number:
MFCD00006087
IUPAC Name:
4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C5H6N2O2S/c1-10-5-6-3(8)2-4(9)7-5/h2H,1H3,(H2,6,7,8,9)
InChI Key:
AEXCUJUYEZIWJV-UHFFFAOYSA-N
SMILES:
CSc1nc(O)cc(=O)[nH]1
EC Number:
217-839-5
NSC Number:
44557
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.015g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
158.175g/mol
Monoisotopic Mass:
158.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Acyclic nucleoside bisphosphonates: synthesis and properties of chiral 2-amino-4,6-bis[(phosphonomethoxy)alkoxy]pyrimidines. European journal of medicinal chemistry 20090601
Properties