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Chemical ID: 4197750
Chemical ID:
4197750
Name [?]:
morpholino-(p-tolyl)methanethione
SMILES [?]:
Cc1ccc(cc1)C(=S)N2CCOCC2
InChi [?]:
InChI=1/C12H15NOS/c1-10-2-4-11(5-3-10)12(15)13-6-8-14-9-7-13/h2-5H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,11,15,12,14,2,5,8,10,13,9/E:(2,3)(4,5)(6,7)(8,9)/rA:15nCCCCCCCCSNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15NOS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.59158 |
Area: | 390.666 |
Solvation: | -2.17507 |
Coulombic: | -17.2293 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 221.32 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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