Chemical ID: 4717886

c1c(sc(n1)Cl)CSc2nc[nH]n2
Chemical ID:
4717886
Name [?]:
3-[(2-chlorothiazol-5-yl)methylsulfanyl]-1H-1,2,4-triazole
SMILES [?]:
c1c(sc(n1)Cl)CSc2nc[nH]n2
InChi [?]:
InChI=1/C6H5ClN4S2/c7-5-8-1-4(13-5)2-12-6-9-3-10-11-6/h1,3H,2H2,(H,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,7,11,2,4,9,6,5,10,12,13,8,3/rA:13nCCSCNClCSCNCNN/rB:d1;s2;s3;s1d4;s4;s2;s7;s8;s9;d10;s11;d9s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5ClN4S2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.97973
Area:396.229
Solvation:-1.92599
Coulombic:-22.6846
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:232.716
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:0.9
LogP (Chemaxon):1.62

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