Chemical ID: 6926909

c1cc(c(=S)[nH]c1)C#N
Chemical ID:
6926909
Name [?]:
2-thioxo-1H-pyridine-3-carbonitrile
SMILES [?]:
c1cc(c(=S)[nH]c1)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:1,2,7,8,3,4,9,6,5/rA:9nCCCCSNCCN/rB:s1;d2;s3;d4;s4;d1s6;s3;t8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H4N2S
All Atoms:13
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:6.10131
Area:288.149
Solvation:-1.10242
Coulombic:-15.4012
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:0.42
LogP (Chemaxon):1.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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