Chemical ID: 6288613

Cn1c(nnc1SC)CSc2ncccn2
Chemical ID:
6288613
Name [?]:
2-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine
SMILES [?]:
Cn1c(nnc1SC)CSc2ncccn2
InChi [?]:
InChI=1/C9H11N5S2/c1-14-7(12-13-9(14)15-2)6-16-8-10-4-3-5-11-8/h3-5H,6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,14,13,15,9,3,11,6,12,16,4,5,2,7,10/E:(4,5)(10,11)/rA:16nCNCNNCSCCSCNCCCN/rB:s1;s2;d3;s4;s2d5;s6;s7;s3;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11N5S2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.58731
Area:433.89
Solvation:-2.25994
Coulombic:-22.692
Bond Count [?]
All:17
Single:12
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:253.349
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.1
LogP (Chemaxon):1.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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