Chemical ID: 4978597

c1cc(c(cc1Cl)Cl)c2csc(n2)C=O
Chemical ID:
4978597
Name [?]:
4-(2,4-dichlorophenyl)thiazole-2-carbaldehyde
SMILES [?]:
c1cc(c(cc1Cl)Cl)c2csc(n2)C=O
InChi [?]:
InChI=1/C10H5Cl2NOS/c11-6-1-2-7(8(12)3-6)9-5-15-10(4-14)13-9/h1-5H
InChi Info:
AuxInfo=1/0/N:1,2,5,14,10,6,3,4,9,12,7,8,13,15,11/rA:15nCCCCCCClClCCSCNCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s10;s11;s9d12;s12;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H5Cl2NOS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.98417
Area:414.588
Solvation:-2.38053
Coulombic:-14.6379
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:258.124
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.39
LogP (Chemaxon):4.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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