5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide

C8H12N2O3S — CID 63580672

IUPAC5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSCCO)c1
InChIInChI=1S/C8H12N2O3S/c9-10-8(12)6-3-7(13-4-6)5-14-2-1-11/h3-4,11H,1-2,5,9H2,(H,10,12)
InChIKeyOXHHFRGOGHSKCN-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.11
Rot. Bonds5

About 5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide

5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide (PubChem CID 63580672) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide
PubChem CID63580672
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSCCO)c1
InChIInChI=1S/C8H12N2O3S/c9-10-8(12)6-3-7(13-4-6)5-14-2-1-11/h3-4,11H,1-2,5,9H2,(H,10,12)
InChIKeyOXHHFRGOGHSKCN-UHFFFAOYSA-N
XLogP0.11
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide?
The IUPAC name of 5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide (CID 63580672) is 5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide.
What is the SMILES notation for 5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide?
The canonical SMILES for 5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide is NNC(=O)c1coc(CSCCO)c1.
What is the InChIKey of 5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide?
The InChIKey is OXHHFRGOGHSKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c9-10-8(12)6-3-7(13-4-6)5-14-2-1-11/h3-4,11H,1-2,5,9H2,(H,10,12).
What are the key properties of 5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide?
5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide has a molecular weight of 216.26 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide is sourced from PubChem (CID 63580672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).