Chemical ID: 6702298

c1ccc2c(c1)[nH]c([nH+]2)c3cscn3
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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