Chemical ID: 7164666

c1c(sc(c1Br)Br)C=Nn2cnnc2S
Chemical ID:
7164666
Name [?]:
4-[(4,5-dibromo-2-thienyl)methyleneamino]-1,2,4-triazole-3-thiol
SMILES [?]:
c1c(sc(c1Br)Br)C=Nn2cnnc2S
InChi [?]:
InChI=1/C7H4Br2N4S2/c8-5-1-4(15-6(5)9)2-11-13-3-10-12-7(13)14/h1-3H,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,8,11,2,5,4,14,6,7,12,9,13,10,15,3/rA:15nCCSCCBrBrCNNCNNCS/rB:d1;s2;s3;s1d4;s5;s4;s2;w8;s9;s10;d11;s12;s10d13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4Br2N4S2
All Atoms:19
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.55137
Area:441.036
Solvation:-2.47453
Coulombic:-10.8697
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:368.074
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.53
LogP (Chemaxon):2.37

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