Chemical ID: 7091469

c1ccnc(c1)C#CS
Chemical ID:
7091469
Name [?]:
2-(2-pyridyl)ethynethiol
SMILES [?]:
c1ccnc(c1)C#CS
InChi [?]:
InChI=1/C7H5NS/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H
InChi Info:
AuxInfo=1/0/N:1,2,6,7,3,8,5,4,9/rA:9nCCCNCCCCS/rB:s1;d2;s3;d4;d1s5;s5;t7;s8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5NS
All Atoms:14
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:6.27621
Area:308.131
Solvation:-1.42706
Coulombic:-7.13682
Bond Count [?]
All:9
Single:5
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:135.187
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.9
LogP (Chemaxon):1.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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