HB3

2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine

Created:2020-12-15
Last modified:  2021-12-22

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count17
Aromatic Bond Count5
2D diagram of HB3

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Chemical Component Summary

Name2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
Systematic Name (OpenEye OEToolkits)2-(1~{H}-1,2,4-triazol-5-ylsulfanyl)ethanamine
FormulaC4 H8 N4 S
Molecular Weight144.198
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385NCCSc1[nH]ncn1
SMILESOpenEye OEToolkits2.0.7c1nc([nH]n1)SCCN
Canonical SMILESCACTVS3.385 NCCSc1[nH]ncn1
Canonical SMILESOpenEye OEToolkits2.0.7 c1nc([nH]n1)SCCN
InChIInChI1.03 InChI=1S/C4H8N4S/c5-1-2-9-4-6-3-7-8-4/h3H,1-2,5H2,(H,6,7,8)
InChIKeyInChI1.03 VKHQZYSNDYRJDZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 20983461