Chem 46 Dichloro 2 Methylthio Pyrimidine Sajjan

Compound 14
  CheckMol                        TMF02:r0:m0
MF=C5H4Cl2N2S MW=195.07
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3085   -0.7309   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6170    0.0236   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3203   -2.2162   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9255   -0.7073   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6288   -2.9589   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2340    0.0472   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9373   -2.1926   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6406   -4.4442   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.5425   -0.6955   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7  1  0  0  0  0
  5  8 02  0  1  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  6  8 01  0  1  0  0
M  END

4,6-Dichloro-2-Methylthio Pyrimidine

₹ 0.00 0.00

Chemical Name - 4,6-Dichloro-2-Methylthio Pyrimidine
Mol Weight - 195.073
Smiles - CSc1nc(Cl)cc(Cl)n1

Property Name	Property Value
Mol Name	4,6-Dichloro-2-Methylthio Pyrimidine
Molweight	195.073
Monoisotopic Mass	193.947222
Clogp	2.2225
Clogs	-2.227
H Acceptors	2
Total Surface Area	131.37
Relative Psa	0.30014
Polar Surface Area	51.08
Druglikeness	-1.2963
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.26123
Molecular Complexity	0.69315
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	2
Symmetric Atoms	3
Aromatic Nitrogens	2
Smiles	CSc1nc(Cl)cc(Cl)n1
InChIKey	InChI=1S/C5H4Cl2N2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3
InChI	FCMLONIWOAGZJX-UHFFFAOYSA-N

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4,6-Dichloro-2-Methylthio Pyrimidine