Chemical ID: 4978628

Cc1ccc(s1)c2csc(n2)C=O
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

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Descriptor Annotations

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