Chemical ID: 4692146

Cc1ccc(cc1)Sc2c(nccn2)C#N
Chemical ID:
4692146
Name [?]:
3-(p-tolylsulfanyl)pyrazine-2-carbonitrile
SMILES [?]:
Cc1ccc(cc1)Sc2c(nccn2)C#N
InChi [?]:
InChI=1/C12H9N3S/c1-9-2-4-10(5-3-9)16-12-11(8-13)14-6-7-15-12/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,12,13,15,2,5,10,9,16,11,14,8/E:(2,3)(4,5)/rA:16nCCCCCCCSCCNCCNCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s10;t15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9N3S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.46675
Area:410.146
Solvation:-1.7869
Coulombic:-16.3272
Bond Count [?]
All:17
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:227.286
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.54
LogP (Chemaxon):3.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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