3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole

C8H9N3OS2 — CID 175630714

IUPAC3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole
SMILESCSc1nc(-c2ccco2)nn1SC
InChIInChI=1S/C8H9N3OS2/c1-13-8-9-7(10-11(8)14-2)6-4-3-5-12-6/h3-5H,1-2H3
InChIKeyDXCBEHIZWADVRO-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.39
Rot. Bonds3

About 3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole

3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole (PubChem CID 175630714) has the molecular formula C8H9N3OS2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole
PubChem CID175630714
Molecular FormulaC8H9N3OS2
Molecular Weight227.31 g/mol
Exact Mass227.02
IUPAC Name3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole
SMILESCSc1nc(-c2ccco2)nn1SC
InChIInChI=1S/C8H9N3OS2/c1-13-8-9-7(10-11(8)14-2)6-4-3-5-12-6/h3-5H,1-2H3
InChIKeyDXCBEHIZWADVRO-UHFFFAOYSA-N
XLogP2.39
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-2-phenylethanone
CID 977151
2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine
CID 12870888
5-ethylsulfanyl-3-(furan-2-yl)-1-methylsulfonyl-1,2,4-triazole
CID 171794236
4,5,6-trifluoro-2-(furan-2-yl)pyrimidine
CID 164652179
2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 69312245
1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone
CID 757187
ethane;2-(furan-2-yl)furan
CID 161366084
4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine
CID 164652077
4-(3-chloro-2-methylphenyl)-3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazole
CID 3614027
11-butyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene
CID 10493146
5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 99964209
(1S)-1-[2-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine
CID 131937735

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole?
The IUPAC name of 3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole (CID 175630714) is 3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole.
What is the SMILES notation for 3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole?
The canonical SMILES for 3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole is CSc1nc(-c2ccco2)nn1SC.
What is the InChIKey of 3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole?
The InChIKey is DXCBEHIZWADVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS2/c1-13-8-9-7(10-11(8)14-2)6-4-3-5-12-6/h3-5H,1-2H3.
What are the key properties of 3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole?
3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole has a molecular weight of 227.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole is sourced from PubChem (CID 175630714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).