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Chemical ID: 5567178
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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