Chemical ID: 5872133

Cc1cc(c(cc1C)NC(=S)N)C
Chemical ID:
5872133
Name [?]:
(2,4,5-trimethylphenyl)thiourea
SMILES [?]:
Cc1cc(c(cc1C)NC(=S)N)C
InChi [?]:
InChI=1/C10H14N2S/c1-6-4-8(3)9(5-7(6)2)12-10(11)13/h4-5H,1-3H3,(H3,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,8,13,3,6,2,7,4,5,10,12,9,11/rA:13nCCCCCCCCNCSNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s4;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14N2S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:8.18022
Area:364.522
Solvation:-0.932825
Coulombic:-29.3285
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:2.33
LogP (Chemaxon):2.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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