3-ethenylsulfanyl-5-phenyl-1H-1,2,4-triazole

C10H9N3S — CID 3066697

IUPAC3-ethenylsulfanyl-5-phenyl-1H-1,2,4-triazole
SMILESC=CSc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C10H9N3S/c1-2-14-10-11-9(12-13-10)8-6-4-3-5-7-8/h2-7H,1H2,(H,11,12,13)
InChIKeyUFWOIOANKYEDEN-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.71
Rot. Bonds3

About 3-ethenylsulfanyl-5-phenyl-1H-1,2,4-triazole

3-ethenylsulfanyl-5-phenyl-1H-1,2,4-triazole (PubChem CID 3066697) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 3-ethenylsulfanyl-5-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-ethenylsulfanyl-5-phenyl-1H-1,2,4-triazole
PubChem CID3066697
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name3-ethenylsulfanyl-5-phenyl-1H-1,2,4-triazole
SMILESC=CSc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C10H9N3S/c1-2-14-10-11-9(12-13-10)8-6-4-3-5-7-8/h2-7H,1H2,(H,11,12,13)
InChIKeyUFWOIOANKYEDEN-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfanyl-5-phenyl-1H-1,2,4-triazole?
The IUPAC name of 3-ethenylsulfanyl-5-phenyl-1H-1,2,4-triazole (CID 3066697) is 3-ethenylsulfanyl-5-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-ethenylsulfanyl-5-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 3-ethenylsulfanyl-5-phenyl-1H-1,2,4-triazole is C=CSc1n[nH]c(-c2ccccc2)n1.
What is the InChIKey of 3-ethenylsulfanyl-5-phenyl-1H-1,2,4-triazole?
The InChIKey is UFWOIOANKYEDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c1-2-14-10-11-9(12-13-10)8-6-4-3-5-7-8/h2-7H,1H2,(H,11,12,13).
What are the key properties of 3-ethenylsulfanyl-5-phenyl-1H-1,2,4-triazole?
3-ethenylsulfanyl-5-phenyl-1H-1,2,4-triazole has a molecular weight of 203.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfanyl-5-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 3066697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).