Chemical ID: 4734503

c1cc(c(cc1NC(=S)N)Cl)Cl
Chemical ID:
4734503
Name [?]:
(3,4-dichlorophenyl)thiourea
SMILES [?]:
c1cc(c(cc1NC(=S)N)Cl)Cl
InChi [?]:
InChI=1/C7H6Cl2N2S/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,8,12,11,10,7,9/rA:12nCCCCCCNCSNClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s4;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6Cl2N2S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:8.25191
Area:367.35
Solvation:-0.931832
Coulombic:-29.9575
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:221.107
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:2.47
LogP (Chemaxon):2.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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