Chemical ID: 6655951

CCc1[n+](c2ccccc2s1)C
Chemical ID:
6655951
Name [?]:
2-ethyl-3-methyl-benzothiazole
SMILES [?]:
CCc1[n+](c2ccccc2s1)C
InChi [?]:
InChI=1/C10H12NS/c1-3-10-11(2)8-6-4-5-7-9(8)12-10/h4-7H,3H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,12,2,7,8,6,9,5,10,3,4,11/CRV:11+1/rA:12nCCCN+CCCCCCSC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s4;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12NS+
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-17.9808
Area:334.978
Solvation:-26.3552
Coulombic:17.1278
Bond Count [?]
All:13
Single:9
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:178.275
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.05
LogP (Chemaxon):-0.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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