Chemical ID: 7468755

CCc1nnc(n1N=Cc2c(ccs2)C)S
Chemical ID:
7468755
Name [?]:
5-ethyl-4-[(3-methyl-2-thienyl)methyleneamino]-1,2,4-triazole-3-thiol
SMILES [?]:
CCc1nnc(n1N=Cc2c(ccs2)C)S
InChi [?]:
InChI=1/C10H12N4S2/c1-3-9-12-13-10(15)14(9)11-6-8-7(2)4-5-16-8/h4-6H,3H2,1-2H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,15,2,12,13,9,11,10,3,6,8,4,5,7,16,14/rA:16nCCCNNCNNCCCCCSCS/rB:s1;s2;d3;s4;d5;s3s6;s7;w8;s9;d10;s11;d12;s10s13;s11;s6;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N4S2
All Atoms:28
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.92763
Area:439.457
Solvation:-2.05878
Coulombic:-12.4079
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:252.361
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.02
LogP (Chemaxon):2.24

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Descriptor Annotations

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