cyclohexa-2,4-dien-1-one;methanesulfonohydrazide

C7H12N2O3S — CID 174750849

IUPACcyclohexa-2,4-dien-1-one;methanesulfonohydrazide
SMILESCS(=O)(=O)NN.O=C1C=CC=CC1
InChIInChI=1S/C6H6O.CH6N2O2S/c7-6-4-2-1-3-5-6;1-6(4,5)3-2/h1-4H,5H2;3H,2H2,1H3
InChIKeyUTEPKXHYWRDNDB-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.52
Rot. Bonds1

About cyclohexa-2,4-dien-1-one;methanesulfonohydrazide

cyclohexa-2,4-dien-1-one;methanesulfonohydrazide (PubChem CID 174750849) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-one;methanesulfonohydrazide.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-one;methanesulfonohydrazide
PubChem CID174750849
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Namecyclohexa-2,4-dien-1-one;methanesulfonohydrazide
SMILESCS(=O)(=O)NN.O=C1C=CC=CC1
InChIInChI=1S/C6H6O.CH6N2O2S/c7-6-4-2-1-3-5-6;1-6(4,5)3-2/h1-4H,5H2;3H,2H2,1H3
InChIKeyUTEPKXHYWRDNDB-UHFFFAOYSA-N
XLogP-0.52
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 cyclohexa-2,4-dien-1-one;methanesulfonohydrazide?
The IUPAC name of cyclohexa-2,4-dien-1-one;methanesulfonohydrazide (CID 174750849) is cyclohexa-2,4-dien-1-one;methanesulfonohydrazide.
What is the SMILES notation for cyclohexa-2,4-dien-1-one;methanesulfonohydrazide?
The canonical SMILES for cyclohexa-2,4-dien-1-one;methanesulfonohydrazide is CS(=O)(=O)NN.O=C1C=CC=CC1.
What is the InChIKey of cyclohexa-2,4-dien-1-one;methanesulfonohydrazide?
The InChIKey is UTEPKXHYWRDNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.CH6N2O2S/c7-6-4-2-1-3-5-6;1-6(4,5)3-2/h1-4H,5H2;3H,2H2,1H3.
What are the key properties of cyclohexa-2,4-dien-1-one;methanesulfonohydrazide?
cyclohexa-2,4-dien-1-one;methanesulfonohydrazide has a molecular weight of 204.25 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-one;methanesulfonohydrazide is sourced from PubChem (CID 174750849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).