Chemical ID: 4761621

Cc1nc(cs1)c2ccc(s2)C#N
Chemical ID:
4761621
Name [?]:
5-(2-methylthiazol-4-yl)thiophene-2-carbonitrile
SMILES [?]:
Cc1nc(cs1)c2ccc(s2)C#N
InChi [?]:
InChI=1/C9H6N2S2/c1-6-11-8(5-12-6)9-3-2-7(4-10)13-9/h2-3,5H,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,12,5,2,10,4,7,13,3,6,11/rA:13nCCNCCSCCCCSCN/rB:s1;d2;s3;d4;s2s5;s4;d7;s8;d9;s7s10;s10;t12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6N2S2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:8.31612
Area:385.216
Solvation:-1.31427
Coulombic:-9.68874
Bond Count [?]
All:14
Single:9
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:206.289
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.05
LogP (Chemaxon):1.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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