Chemical ID: 5152427

c1cc(ccc1c2n[nH]c(=S)s2)Cl
Chemical ID:
5152427
Name [?]:
5-(4-chlorophenyl)-3H-1,3,4-thiadiazole-2-thione
SMILES [?]:
c1cc(ccc1c2n[nH]c(=S)s2)Cl
InChi [?]:
InChI=1/C8H5ClN2S2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,6,3,7,10,13,8,9,11,12/E:(1,2)(3,4)/rA:13nCCCCCCCNNCSSCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s7s10;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5ClN2S2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:8.87253
Area:391.852
Solvation:-0.923766
Coulombic:-13.6878
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:228.723
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.21
LogP (Chemaxon):3.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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