Chemical ID: 3966583

CCc1cc(ccn1)C(=S)N
Chemical ID:
3966583
Name [?]:
2-ethylpyridine-4-carbothioamide
SMILES [?]:
CCc1cc(ccn1)C(=S)N
InChi [?]:
InChI=1/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,4,5,3,9,11,8,10/rA:11nCCCCCCCNCSN/rB:s1;s2;s3;d4;s5;d6;d3s7;s5;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10N2S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:7.1577
Area:336.674
Solvation:-1.25917
Coulombic:-22.0018
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:166.244
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:0.79
LogP (Chemaxon):0.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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