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Chemical ID: 5190867
Chemical ID:
5190867
Name [?]:
10-methyl-9H-thioxanthene
SMILES [?]:
C[S+]1c2ccccc2Cc3c1cccc3
InChi [?]:
InChI=1/C14H13S/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-9H,10H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,6,14,5,13,7,15,4,12,9,8,10,3,11,2/E:(2,3)(4,5)(6,7)(8,9)(11,12)(13,14)/CRV:15+1/rA:15cCS+CCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13S+ |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -16.0614 |
Area: | 365.916 |
Solvation: | -25.2093 |
Coulombic: | 22.8788 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 213.319 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.64 |
LogP (Chemaxon): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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