Chemical ID: 5215173

c1cc(c(nc1)S)C#N
Chemical ID:
5215173
Name [?]:
2-sulfanylpyridine-3-carbonitrile
SMILES [?]:
c1cc(c(nc1)S)C#N
InChi [?]:
InChI=1/C6H4N2S/c7-4-5-2-1-3-8-6(5)9/h1-3H,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,3,4,9,5,7/rA:9nCCCCNCSCN/rB:s1;d2;s3;d4;d1s5;s4;s3;t8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H4N2S
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:5.58605
Area:288.298
Solvation:-1.6214
Coulombic:-10.1499
Bond Count [?]
All:9
Single:5
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:136.175
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.96
LogP (Chemaxon):1.33

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Experimental Annotations

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Descriptor Annotations

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