4-(ethylsulfinylmethyl)-2H-triazole

C5H9N3OS — CID 59155125

IUPAC4-(ethylsulfinylmethyl)-2H-triazole
SMILESCCS(=O)Cc1cn[nH]n1
InChIInChI=1S/C5H9N3OS/c1-2-10(9)4-5-3-6-8-7-5/h3H,2,4H2,1H3,(H,6,7,8)
InChIKeyOLXIXXSKYDUSQC-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.07
Rot. Bonds3

About 4-(ethylsulfinylmethyl)-2H-triazole

4-(ethylsulfinylmethyl)-2H-triazole (PubChem CID 59155125) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is 4-(ethylsulfinylmethyl)-2H-triazole.

Molecular Properties

Compound Name4-(ethylsulfinylmethyl)-2H-triazole
PubChem CID59155125
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC Name4-(ethylsulfinylmethyl)-2H-triazole
SMILESCCS(=O)Cc1cn[nH]n1
InChIInChI=1S/C5H9N3OS/c1-2-10(9)4-5-3-6-8-7-5/h3H,2,4H2,1H3,(H,6,7,8)
InChIKeyOLXIXXSKYDUSQC-UHFFFAOYSA-N
XLogP0.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfinylmethyl)-2H-triazole?
The IUPAC name of 4-(ethylsulfinylmethyl)-2H-triazole (CID 59155125) is 4-(ethylsulfinylmethyl)-2H-triazole.
What is the SMILES notation for 4-(ethylsulfinylmethyl)-2H-triazole?
The canonical SMILES for 4-(ethylsulfinylmethyl)-2H-triazole is CCS(=O)Cc1cn[nH]n1.
What is the InChIKey of 4-(ethylsulfinylmethyl)-2H-triazole?
The InChIKey is OLXIXXSKYDUSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS/c1-2-10(9)4-5-3-6-8-7-5/h3H,2,4H2,1H3,(H,6,7,8).
What are the key properties of 4-(ethylsulfinylmethyl)-2H-triazole?
4-(ethylsulfinylmethyl)-2H-triazole has a molecular weight of 159.21 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfinylmethyl)-2H-triazole is sourced from PubChem (CID 59155125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).