hydrazine;5-sulfonylcyclohexa-1,3-diene

C6H10N2O2S — CID 172693673

IUPAChydrazine;5-sulfonylcyclohexa-1,3-diene
SMILESNN.O=S(=O)=C1C=CC=CC1
InChIInChI=1S/C6H6O2S.H4N2/c7-9(8)6-4-2-1-3-5-6;1-2/h1-4H,5H2;1-2H2
InChIKeyCAGVYXNPUYYTIO-UHFFFAOYSA-N
MW174.23 g/mol
LogP-0.63
Rot. Bonds

About hydrazine;5-sulfonylcyclohexa-1,3-diene

hydrazine;5-sulfonylcyclohexa-1,3-diene (PubChem CID 172693673) has the molecular formula C6H10N2O2S and a molecular weight of 174.23 g/mol. Its IUPAC name is hydrazine;5-sulfonylcyclohexa-1,3-diene.

Molecular Properties

Compound Namehydrazine;5-sulfonylcyclohexa-1,3-diene
PubChem CID172693673
Molecular FormulaC6H10N2O2S
Molecular Weight174.23 g/mol
Exact Mass174.05
IUPAC Namehydrazine;5-sulfonylcyclohexa-1,3-diene
SMILESNN.O=S(=O)=C1C=CC=CC1
InChIInChI=1S/C6H6O2S.H4N2/c7-9(8)6-4-2-1-3-5-6;1-2/h1-4H,5H2;1-2H2
InChIKeyCAGVYXNPUYYTIO-UHFFFAOYSA-N
XLogP-0.63
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-sulfonylcyclohexa-1,3-diene;2-(tribromomethylsulfonyl)pyridine
CID 87709397
cyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one
CID 123633481
cyclohexa-2,4-dien-1-one;octahydrate
CID 175148606
cyclohepta-1,3,5-triene-1,2-diamine
CID 163640522
cyclohexa-2,4-dien-1-ylidene-hydroxy-methylazanium
CID 90891817
2-hydroxycyclohepta-1,4,6-triene-1-carboxamide
CID 163469165
2-ethynyl-5-sulfonylcyclohexa-1,3-diene
CID 156776515
5-methylidenecyclohexa-1,3-diene;dihydrobromide
CID 175171179
2-sulfonyl-4a,5-dihydro-1H-naphthalene
CID 54064259
cyclohexa-2,4-dien-1-one;methanesulfonohydrazide
CID 174750849
cyclooctadeca-3,5-diene-1,8-dione
CID 91170043
8H-azulen-1-one
CID 163209393

Frequently Asked Questions

What is the IUPAC name of hydrazine;5-sulfonylcyclohexa-1,3-diene?
The IUPAC name of hydrazine;5-sulfonylcyclohexa-1,3-diene (CID 172693673) is hydrazine;5-sulfonylcyclohexa-1,3-diene.
What is the SMILES notation for hydrazine;5-sulfonylcyclohexa-1,3-diene?
The canonical SMILES for hydrazine;5-sulfonylcyclohexa-1,3-diene is NN.O=S(=O)=C1C=CC=CC1.
What is the InChIKey of hydrazine;5-sulfonylcyclohexa-1,3-diene?
The InChIKey is CAGVYXNPUYYTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2S.H4N2/c7-9(8)6-4-2-1-3-5-6;1-2/h1-4H,5H2;1-2H2.
What are the key properties of hydrazine;5-sulfonylcyclohexa-1,3-diene?
hydrazine;5-sulfonylcyclohexa-1,3-diene has a molecular weight of 174.23 g/mol, XLogP of -0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;5-sulfonylcyclohexa-1,3-diene is sourced from PubChem (CID 172693673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).