Chemical ID: 6422354

c1ccc(cc1)Cc2[nH]c(nn2)S
Chemical ID:
6422354
Name [?]:
5-benzyl-4H-1,2,4-triazole-3-thiol
SMILES [?]:
c1ccc(cc1)Cc2[nH]c(nn2)S
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H9N3S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.2911
Area:364.239
Solvation:-1.81487
Coulombic:-18.2684
Bond Count [?]
All:14
Single:9
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:191.254
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.2
LogP (Chemaxon):1.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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