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Chemical ID: 5452367
Chemical ID:
5452367
Name [?]:
4-(4-bromophenyl)-2,5-dimethyl-thiazole
SMILES [?]:
Cc1c(nc(s1)C)c2ccc(cc2)Br
InChi [?]:
InChI=1/C11H10BrNS/c1-7-11(13-8(2)14-7)9-3-5-10(12)6-4-9/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,9,13,10,12,2,5,8,11,3,14,4,6/E:(3,4)(5,6)/rA:14nCCCNCSCCCCCCCBr/rB:s1;d2;s3;d4;s2s5;s5;s3;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10BrNS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.80157 |
Area: | 390.42 |
Solvation: | -0.958919 |
Coulombic: | -7.01849 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 268.174 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.37 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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