Chemical ID: 4245707

CCn1c(nnc1S)COc2c(cccc2C)C
Chemical ID:
4245707
Name [?]:
5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiol
SMILES [?]:
CCn1c(nnc1S)COc2c(cccc2C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H17N3OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.34992
Area:438.23
Solvation:-2.60584
Coulombic:-22.1499
Bond Count [?]
All:19
Single:14
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:263.36
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.25
LogP (Chemaxon):2.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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