Chemical ID: 5567178

Cc1cccc2c1nc(cc2S)S
Chemical ID:
5567178
Name [?]:
8-methylquinoline-2,4-dithiol
SMILES [?]:
Cc1cccc2c1nc(cc2S)S
InChi [?]:
InChI=1/C10H9NS2/c1-6-3-2-4-7-8(12)5-9(13)11-10(6)7/h2-5H,1H3,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,10,2,6,11,9,7,8,12,13/rA:13nCCCCCCCNCCCSS/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;s9;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9NS2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.71565
Area:363.179
Solvation:-1.36381
Coulombic:-10.288
Bond Count [?]
All:14
Single:9
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:207.317
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.2
LogP (Chemaxon):3.47

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Descriptor Annotations

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