5-ethylsulfanyl-3-(furan-2-yl)-1-methylsulfonyl-1,2,4-triazole

C9H11N3O3S2 — CID 171794236

IUPAC5-ethylsulfanyl-3-(furan-2-yl)-1-methylsulfonyl-1,2,4-triazole
SMILESCCSc1nc(-c2ccco2)nn1S(C)(=O)=O
InChIInChI=1S/C9H11N3O3S2/c1-3-16-9-10-8(7-5-4-6-15-7)11-12(9)17(2,13)14/h4-6H,3H2,1-2H3
InChIKeyGOSXNLPXYGWTGS-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.46
Rot. Bonds4

About 5-ethylsulfanyl-3-(furan-2-yl)-1-methylsulfonyl-1,2,4-triazole

5-ethylsulfanyl-3-(furan-2-yl)-1-methylsulfonyl-1,2,4-triazole (PubChem CID 171794236) has the molecular formula C9H11N3O3S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-ethylsulfanyl-3-(furan-2-yl)-1-methylsulfonyl-1,2,4-triazole.

Molecular Properties

Compound Name5-ethylsulfanyl-3-(furan-2-yl)-1-methylsulfonyl-1,2,4-triazole
PubChem CID171794236
Molecular FormulaC9H11N3O3S2
Molecular Weight273.34 g/mol
Exact Mass273.02
IUPAC Name5-ethylsulfanyl-3-(furan-2-yl)-1-methylsulfonyl-1,2,4-triazole
SMILESCCSc1nc(-c2ccco2)nn1S(C)(=O)=O
InChIInChI=1S/C9H11N3O3S2/c1-3-16-9-10-8(7-5-4-6-15-7)11-12(9)17(2,13)14/h4-6H,3H2,1-2H3
InChIKeyGOSXNLPXYGWTGS-UHFFFAOYSA-N
XLogP1.46
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole
CID 175630714
1-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-2-phenylethanone
CID 977151
1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone
CID 757187
5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 47153877
3-(furan-2-yl)-4-methyl-5-(2-methylsulfonylethylsulfanyl)-1,2,4-triazole
CID 47096849
5-(1-ethylsulfonylazetidin-3-yl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 90509216
2-(4-chlorophenyl)sulfonyl-5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine
CID 4005812
2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
CID 115004120
1-[5-[(2-chlorophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]butan-1-one
CID 3903946
[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone
CID 1084416
5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 47154148
2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine
CID 71517746

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-3-(furan-2-yl)-1-methylsulfonyl-1,2,4-triazole?
The IUPAC name of 5-ethylsulfanyl-3-(furan-2-yl)-1-methylsulfonyl-1,2,4-triazole (CID 171794236) is 5-ethylsulfanyl-3-(furan-2-yl)-1-methylsulfonyl-1,2,4-triazole.
What is the SMILES notation for 5-ethylsulfanyl-3-(furan-2-yl)-1-methylsulfonyl-1,2,4-triazole?
The canonical SMILES for 5-ethylsulfanyl-3-(furan-2-yl)-1-methylsulfonyl-1,2,4-triazole is CCSc1nc(-c2ccco2)nn1S(C)(=O)=O.
What is the InChIKey of 5-ethylsulfanyl-3-(furan-2-yl)-1-methylsulfonyl-1,2,4-triazole?
The InChIKey is GOSXNLPXYGWTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S2/c1-3-16-9-10-8(7-5-4-6-15-7)11-12(9)17(2,13)14/h4-6H,3H2,1-2H3.
What are the key properties of 5-ethylsulfanyl-3-(furan-2-yl)-1-methylsulfonyl-1,2,4-triazole?
5-ethylsulfanyl-3-(furan-2-yl)-1-methylsulfonyl-1,2,4-triazole has a molecular weight of 273.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-3-(furan-2-yl)-1-methylsulfonyl-1,2,4-triazole is sourced from PubChem (CID 171794236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).