methyl 1-(2-hydroxyethyl)pyrazole-3-sulfinate

C6H10N2O3S — CID 138532578

IUPACmethyl 1-(2-hydroxyethyl)pyrazole-3-sulfinate
SMILESCOS(=O)c1ccn(CCO)n1
InChIInChI=1S/C6H10N2O3S/c1-11-12(10)6-2-3-8(7-6)4-5-9/h2-3,9H,4-5H2,1H3
InChIKeyYWPDCLSZYXOQDP-UHFFFAOYSA-N
MW190.22 g/mol
LogP-0.46
Rot. Bonds4

About methyl 1-(2-hydroxyethyl)pyrazole-3-sulfinate

methyl 1-(2-hydroxyethyl)pyrazole-3-sulfinate (PubChem CID 138532578) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is methyl 1-(2-hydroxyethyl)pyrazole-3-sulfinate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxyethyl)pyrazole-3-sulfinate
PubChem CID138532578
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Namemethyl 1-(2-hydroxyethyl)pyrazole-3-sulfinate
SMILESCOS(=O)c1ccn(CCO)n1
InChIInChI=1S/C6H10N2O3S/c1-11-12(10)6-2-3-8(7-6)4-5-9/h2-3,9H,4-5H2,1H3
InChIKeyYWPDCLSZYXOQDP-UHFFFAOYSA-N
XLogP-0.46
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxyethyl)pyrazole-3-sulfinate?
The IUPAC name of methyl 1-(2-hydroxyethyl)pyrazole-3-sulfinate (CID 138532578) is methyl 1-(2-hydroxyethyl)pyrazole-3-sulfinate.
What is the SMILES notation for methyl 1-(2-hydroxyethyl)pyrazole-3-sulfinate?
The canonical SMILES for methyl 1-(2-hydroxyethyl)pyrazole-3-sulfinate is COS(=O)c1ccn(CCO)n1.
What is the InChIKey of methyl 1-(2-hydroxyethyl)pyrazole-3-sulfinate?
The InChIKey is YWPDCLSZYXOQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c1-11-12(10)6-2-3-8(7-6)4-5-9/h2-3,9H,4-5H2,1H3.
What are the key properties of methyl 1-(2-hydroxyethyl)pyrazole-3-sulfinate?
methyl 1-(2-hydroxyethyl)pyrazole-3-sulfinate has a molecular weight of 190.22 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxyethyl)pyrazole-3-sulfinate is sourced from PubChem (CID 138532578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).