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Chemical ID: 4761621
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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