Chemical ID: 5753346

Cc1nn(c(=S)n1c2ccccc2)c3ccccc3
Chemical ID:
5753346
Name [?]:
5-methyl-2,4-diphenyl-1,2,4-triazole-3-thione
SMILES [?]:
Cc1nn(c(=S)n1c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C15H13N3S/c1-12-16-18(14-10-6-3-7-11-14)15(19)17(12)13-8-4-2-5-9-13/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,17,10,12,16,18,9,13,15,19,2,8,14,5,3,7,4,6/E:(4,5)(6,7)(8,9)(10,11)/rA:19nCCNNCSNCCCCCCCCCCCC/rB:s1;d2;s3;s4;d5;s2s5;s7;s8;d9;s10;d11;d8s12;s4;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N3S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.74874
Area:445.816
Solvation:-1.39666
Coulombic:-15.763
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:267.35
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.4
LogP (Chemaxon):3.89

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Descriptor Annotations

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