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Chemical ID: 4978628
Chemical ID:
4978628
Name [?]:
4-(5-methyl-2-thienyl)thiazole-2-carbaldehyde
SMILES [?]:
Cc1ccc(s1)c2csc(n2)C=O
InChi [?]:
InChI=1/C9H7NOS2/c1-6-2-3-8(13-6)7-5-12-9(4-11)10-7/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,8,2,7,5,10,11,13,9,6/rA:13nCCCCCSCCSCNCO/rB:s1;d2;s3;d4;s2s5;s5;d7;s8;s9;s7d10;s10;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H7NOS2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.38276 |
Area: | 379.855 |
Solvation: | -2.11361 |
Coulombic: | -14.3831 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 209.29 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.03 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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