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Chemical ID: 4260282
Chemical ID:
4260282
Name [?]:
(2,4,6-trimethylphenyl)thiourea
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=S)N)C
InChi [?]:
InChI=1/C10H14N2S/c1-6-4-7(2)9(8(3)5-6)12-10(11)13/h4-5H,1-3H3,(H3,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,8,13,7,3,2,6,4,5,10,12,9,11/E:(2,3)(4,5)(7,8)/rA:13nCCCCCCCCNCSNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N2S |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.07464 |
Area: | 359.019 |
Solvation: | -0.900847 |
Coulombic: | -29.4116 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 194.298 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 2.12 |
LogP (Chemaxon): | 1.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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