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Chemical ID: 6702298
Chemical ID:
6702298
Name [?]:
2-thiazol-4-yl-1,3-dihydrobenzoimidazole
SMILES [?]:
c1ccc2c(c1)[nH]c([nH+]2)c3cscn3
InChi [?]:
InChI=1/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,13,5,4,10,8,14,7,9,12/E:(1,2)(3,4)(7,8)(12,13)/rA:14nCCCCCCNCN+CCSCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;d10;s11;s12;s10d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8N3S+ |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.061 |
Area: | 360.647 |
Solvation: | -32.0772 |
Coulombic: | -12.3359 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 202.257 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.33 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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