Chemical ID: 4185766

c1cc(ccc1c2nc([nH]n2)S)Br
Chemical ID:
4185766
Name [?]:
5-(4-bromophenyl)-2H-1,2,4-triazole-3-thiol
SMILES [?]:
c1cc(ccc1c2nc([nH]n2)S)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C8H6BrN3S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:8.01349
Area:372.856
Solvation:-1.3079
Coulombic:-20.0034
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:256.123
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.38
LogP (Chemaxon):3.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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