5-thiophen-2-ylsulfanyl-1H-1,2,4-triazole

C6H5N3S2 — CID 141130779

IUPAC5-thiophen-2-ylsulfanyl-1H-1,2,4-triazole
SMILESc1csc(Sc2ncn[nH]2)c1
InChIInChI=1S/C6H5N3S2/c1-2-5(10-3-1)11-6-7-4-8-9-6/h1-4H,(H,7,8,9)
InChIKeyRMJRIKLSLSMZAV-UHFFFAOYSA-N
MW183.26 g/mol
LogP2.02
Rot. Bonds2

About 5-thiophen-2-ylsulfanyl-1H-1,2,4-triazole

5-thiophen-2-ylsulfanyl-1H-1,2,4-triazole (PubChem CID 141130779) has the molecular formula C6H5N3S2 and a molecular weight of 183.26 g/mol. Its IUPAC name is 5-thiophen-2-ylsulfanyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-thiophen-2-ylsulfanyl-1H-1,2,4-triazole
PubChem CID141130779
Molecular FormulaC6H5N3S2
Molecular Weight183.26 g/mol
Exact Mass182.99
IUPAC Name5-thiophen-2-ylsulfanyl-1H-1,2,4-triazole
SMILESc1csc(Sc2ncn[nH]2)c1
InChIInChI=1S/C6H5N3S2/c1-2-5(10-3-1)11-6-7-4-8-9-6/h1-4H,(H,7,8,9)
InChIKeyRMJRIKLSLSMZAV-UHFFFAOYSA-N
XLogP2.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-ylsulfanyl-1H-1,2,4-triazole?
The IUPAC name of 5-thiophen-2-ylsulfanyl-1H-1,2,4-triazole (CID 141130779) is 5-thiophen-2-ylsulfanyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-thiophen-2-ylsulfanyl-1H-1,2,4-triazole?
The canonical SMILES for 5-thiophen-2-ylsulfanyl-1H-1,2,4-triazole is c1csc(Sc2ncn[nH]2)c1.
What is the InChIKey of 5-thiophen-2-ylsulfanyl-1H-1,2,4-triazole?
The InChIKey is RMJRIKLSLSMZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S2/c1-2-5(10-3-1)11-6-7-4-8-9-6/h1-4H,(H,7,8,9).
What are the key properties of 5-thiophen-2-ylsulfanyl-1H-1,2,4-triazole?
5-thiophen-2-ylsulfanyl-1H-1,2,4-triazole has a molecular weight of 183.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-ylsulfanyl-1H-1,2,4-triazole is sourced from PubChem (CID 141130779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).