Chemical ID: 4258984

Cc1cc2c(cc1C)sc(n2)N
Chemical ID:
4258984
Name [?]:
5,6-dimethylbenzothiazol-2-amine
SMILES [?]:
Cc1cc2c(cc1C)sc(n2)N
InChi [?]:
InChI=1/C9H10N2S/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H2,10,11)
InChi Info:
AuxInfo=1/1/N:1,8,3,6,2,7,4,5,10,12,11,9/rA:12nCCCCCCCCSCNN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s4d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N2S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.49797
Area:335.969
Solvation:-0.901263
Coulombic:-23.4869
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:1.99
LogP (Chemaxon):3.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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