Chemical ID: 6504098

C1CCc2c(nc(s2)[NH3+])C1
Chemical ID:
6504098
Name [?]:
4,5,6,7-tetrahydrobenzothiazol-2-ylammonium
SMILES [?]:
C1CCc2c(nc(s2)[NH3+])C1
InChi [?]:
InChI=1/C7H10N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2,(H2,8,9)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,10,3,5,4,7,9,6,8/rA:10nCCCCCNCSN+C/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s1s5;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H11N2S+
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:-31.754
Area:298.356
Solvation:-39.2129
Coulombic:40.9283
Bond Count [?]
All:11
Single:9
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:155.242
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.34
LogP (Chemaxon):1.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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