5-(thiolan-2-yl)-1H-1,2,4-triazole

C6H9N3S — CID 67213191

IUPAC5-(thiolan-2-yl)-1H-1,2,4-triazole
SMILESc1n[nH]c(C2CCCS2)n1
InChIInChI=1S/C6H9N3S/c1-2-5(10-3-1)6-7-4-8-9-6/h4-5H,1-3H2,(H,7,8,9)
InChIKeyRTFRIKHRAGVHKH-UHFFFAOYSA-N
MW155.23 g/mol
LogP1.37
Rot. Bonds1

About 5-(thiolan-2-yl)-1H-1,2,4-triazole

5-(thiolan-2-yl)-1H-1,2,4-triazole (PubChem CID 67213191) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 5-(thiolan-2-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(thiolan-2-yl)-1H-1,2,4-triazole
PubChem CID67213191
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name5-(thiolan-2-yl)-1H-1,2,4-triazole
SMILESc1n[nH]c(C2CCCS2)n1
InChIInChI=1S/C6H9N3S/c1-2-5(10-3-1)6-7-4-8-9-6/h4-5H,1-3H2,(H,7,8,9)
InChIKeyRTFRIKHRAGVHKH-UHFFFAOYSA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(thiolan-2-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-(thiolan-2-yl)-1H-1,2,4-triazole (CID 67213191) is 5-(thiolan-2-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(thiolan-2-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(thiolan-2-yl)-1H-1,2,4-triazole is c1n[nH]c(C2CCCS2)n1.
What is the InChIKey of 5-(thiolan-2-yl)-1H-1,2,4-triazole?
The InChIKey is RTFRIKHRAGVHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-2-5(10-3-1)6-7-4-8-9-6/h4-5H,1-3H2,(H,7,8,9).
What are the key properties of 5-(thiolan-2-yl)-1H-1,2,4-triazole?
5-(thiolan-2-yl)-1H-1,2,4-triazole has a molecular weight of 155.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiolan-2-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 67213191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).