Chemical ID: 4662997

C[n+]1c2ccccc2sc1N
Chemical ID:
4662997
Name [?]:
3-methylbenzothiazol-2-amine
SMILES [?]:
C[n+]1c2ccccc2sc1N
InChi [?]:
InChI=1/C8H8N2S/c1-10-6-4-2-3-5-7(6)11-8(10)9/h2-5,9H,1H3/p+1
InChi Info:
AuxInfo=1/5/N:1,5,6,4,7,3,8,10,11,2,9/rA:11nCN+CCCCCCSCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9N2S+
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-19.2748
Area:309.661
Solvation:-27.0163
Coulombic:0.32278
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:165.237
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.83
LogP (Chemaxon):-1.59

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue