Chemical ID: 4728078

CSc1c(cccn1)C#N
Chemical ID:
4728078
Name [?]:
2-methylsulfanylpyridine-3-carbonitrile
SMILES [?]:
CSc1c(cccn1)C#N
InChi [?]:
InChI=1/C7H6N2S/c1-10-7-6(5-8)3-2-4-9-7/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,9,4,3,10,8,2/rA:10nCSCCCCCNCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s4;t9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6N2S
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.35495
Area:309.434
Solvation:-1.38091
Coulombic:-9.36371
Bond Count [?]
All:10
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:150.202
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.32
LogP (Chemaxon):1.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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