Chemical ID: 4562513

C1CCN2CCCC(C2C1)CS
Chemical ID:
4562513
Name [?]:
2,3,4,5,6,7,8,8a-octahydro-1H-quinolizin-1-ylmethanethiol
SMILES [?]:
C1CCN2CCCC(C2C1)CS
InChi [?]:
InChI=1/C10H19NS/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,7,10,3,5,11,8,9,4,12/rA:12cCCCNCCCCCCCS/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s1s9;s8;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H19NS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:3
ZAP Information [?]
Total:7.52295
Area:341.068
Solvation:-1.00375
Coulombic:-8.12972
Bond Count [?]
All:13
Single:13
Double:0
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:185.331
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.37
LogP (Chemaxon):1.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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