Chem 46 Dihydroxy 2 Methylthio Pyrimidine Sajjan

Compound 15
  CheckMol                        TMF02:r0:m0
MF=C5H6N2O2S MW=158.17
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2950   -0.7485   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3188   -0.7485   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5900    0.0119   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2831   -2.2455   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8850   -0.7366   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5781   -2.9940   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1801    0.0238   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8732   -2.2336   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5663   -4.4910   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7 02  0  1  0  0
  6  8  1  0  0  0  0
  6  9 02  0  1  0  0
  7 10  1  0  0  0  0
  7  9 01  0  1  0  0
M  END

4,6-Dihydroxy-2-Methylthio Pyrimidine

₹ 0.00 0.00

Chemical Name - 4,6-Dihydroxy-2-Methylthio Pyrimidine
Mol Weight - 158.181
Smiles - CSc1nc(O)cc(O)n1

Property Name	Property Value
Mol Name	4,6-Dihydroxy-2-Methylthio Pyrimidine
Molweight	158.181
Monoisotopic Mass	158.014998
Clogp	0.8271
Clogs	-1.687
H Acceptors	4
H Donors	2
Total Surface Area	113.23
Relative Psa	0.57962
Polar Surface Area	91.54
Druglikeness	-1.4237
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.26123
Molecular Complexity	0.6089
Fragments	1
Non H Atoms	10
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Symmetric Atoms	3
Aromatic Nitrogens	2
Basic Nitrogens	2
Smiles	CSc1nc(O)cc(O)n1
InChIKey	InChI=1S/C5H6N2O2S/c1-10-5-6-3(8)2-4(9)7-5/h2H,1H3,(H2,6,7,8,9)
InChI	AEXCUJUYEZIWJV-UHFFFAOYSA-N

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4,6-Dihydroxy-2-Methylthio Pyrimidine