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Chemical ID: 4257198
Chemical ID:
4257198
Name [?]:
5,7-dimethylbenzothiazol-2-amine
SMILES [?]:
Cc1cc(c2c(c1)nc(s2)N)C
InChi [?]:
InChI=1/C9H10N2S/c1-5-3-6(2)8-7(4-5)11-9(10)12-8/h3-4H,1-2H3,(H2,10,11)
InChi Info:
AuxInfo=1/1/N:1,12,3,7,2,4,6,5,9,11,8,10/rA:12nCCCCCCCNCSNC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;s4;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10N2S |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.47697 |
Area: | 334.265 |
Solvation: | -0.879643 |
Coulombic: | -23.6248 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 178.255 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.78 |
LogP (Chemaxon): | 3.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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