Chemical ID: 4160207

COC(=O)CSc1[nH]c(nn1)N
Chemical ID:
4160207
Name [?]:
methyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
SMILES [?]:
COC(=O)CSc1[nH]c(nn1)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C5H8N4O2S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.47248
Area:358.579
Solvation:-2.49199
Coulombic:-50.6928
Bond Count [?]
All:12
Single:9
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:188.209
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.91
LogP (Chemaxon):-0.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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