ethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride

C7H11ClN2O2S — CID 14219735

IUPACethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(NN)s1.Cl
InChIInChI=1S/C7H10N2O2S.ClH/c1-2-11-7(10)5-3-4-6(9-8)12-5;/h3-4,9H,2,8H2,1H3;1H
InChIKeyYKWUVWIDVJXREH-UHFFFAOYSA-N
MW222.70 g/mol
LogP1.63
Rot. Bonds3

About ethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride

ethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride (PubChem CID 14219735) has the molecular formula C7H11ClN2O2S and a molecular weight of 222.70 g/mol. Its IUPAC name is ethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride
PubChem CID14219735
Molecular FormulaC7H11ClN2O2S
Molecular Weight222.70 g/mol
Exact Mass222.02
IUPAC Nameethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(NN)s1.Cl
InChIInChI=1S/C7H10N2O2S.ClH/c1-2-11-7(10)5-3-4-6(9-8)12-5;/h3-4,9H,2,8H2,1H3;1H
InChIKeyYKWUVWIDVJXREH-UHFFFAOYSA-N
XLogP1.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-(8-hydroxyoctyl)thiophene-2-carboxylate
CID 67485458
ethyl 5-hexylthiophene-2-carboxylate
CID 142697334
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate
CID 58814529
butyl 5-acetamidothiophene-2-carboxylate
CID 112725025
2-(5-ethoxycarbonylthiophen-2-yl)ethanethioic S-acid
CID 57468309
ethyl 5-[(E)-but-2-enoyl]thiophene-2-carboxylate
CID 146010349
ethyl 5-(2-chloropropanoyl)thiophene-2-carboxylate
CID 146010362
ethyl 5-(3,3-dimethylbutanoyl)thiophene-2-carboxylate
CID 146010380
ethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate
CID 143276206
ethyl 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylate
CID 169473830
(5-ethoxycarbonylthiophen-2-yl)methanesulfinic acid
CID 174550421
(5-ethoxycarbonylthiophen-2-yl)methylphosphonic acid
CID 22992397

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride (CID 14219735) is ethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride is CCOC(=O)c1ccc(NN)s1.Cl.
What is the InChIKey of ethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride?
The InChIKey is YKWUVWIDVJXREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S.ClH/c1-2-11-7(10)5-3-4-6(9-8)12-5;/h3-4,9H,2,8H2,1H3;1H.
What are the key properties of ethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride?
ethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride has a molecular weight of 222.70 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride is sourced from PubChem (CID 14219735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).