5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole

C7H7N3S2 — CID 142174785

IUPAC5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole
SMILESc1n[nH]c(SCc2ccsc2)n1
InChIInChI=1S/C7H7N3S2/c1-2-11-3-6(1)4-12-7-8-5-9-10-7/h1-3,5H,4H2,(H,8,9,10)
InChIKeyZVNLINQEPGZPHO-UHFFFAOYSA-N
MW197.29 g/mol
LogP2.16
Rot. Bonds3

About 5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole

5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole (PubChem CID 142174785) has the molecular formula C7H7N3S2 and a molecular weight of 197.29 g/mol. Its IUPAC name is 5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole
PubChem CID142174785
Molecular FormulaC7H7N3S2
Molecular Weight197.29 g/mol
Exact Mass197.01
IUPAC Name5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole
SMILESc1n[nH]c(SCc2ccsc2)n1
InChIInChI=1S/C7H7N3S2/c1-2-11-3-6(1)4-12-7-8-5-9-10-7/h1-3,5H,4H2,(H,8,9,10)
InChIKeyZVNLINQEPGZPHO-UHFFFAOYSA-N
XLogP2.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole (CID 142174785) is 5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole is c1n[nH]c(SCc2ccsc2)n1.
What is the InChIKey of 5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole?
The InChIKey is ZVNLINQEPGZPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S2/c1-2-11-3-6(1)4-12-7-8-5-9-10-7/h1-3,5H,4H2,(H,8,9,10).
What are the key properties of 5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole?
5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole has a molecular weight of 197.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole is sourced from PubChem (CID 142174785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).