1-hydrazinylidene-1-oxo-4-propan-2-ylthiane

C8H18N2OS — CID 138494031

IUPAC1-hydrazinylidene-1-oxo-4-propan-2-ylthiane
SMILESCC(C)C1CCS(=O)(=NN)CC1
InChIInChI=1S/C8H18N2OS/c1-7(2)8-3-5-12(11,10-9)6-4-8/h7-8H,3-6,9H2,1-2H3
InChIKeyFUHICDLZPUZNCD-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.39
Rot. Bonds1

About 1-hydrazinylidene-1-oxo-4-propan-2-ylthiane

1-hydrazinylidene-1-oxo-4-propan-2-ylthiane (PubChem CID 138494031) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 1-hydrazinylidene-1-oxo-4-propan-2-ylthiane.

Molecular Properties

Compound Name1-hydrazinylidene-1-oxo-4-propan-2-ylthiane
PubChem CID138494031
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name1-hydrazinylidene-1-oxo-4-propan-2-ylthiane
SMILESCC(C)C1CCS(=O)(=NN)CC1
InChIInChI=1S/C8H18N2OS/c1-7(2)8-3-5-12(11,10-9)6-4-8/h7-8H,3-6,9H2,1-2H3
InChIKeyFUHICDLZPUZNCD-UHFFFAOYSA-N
XLogP1.39
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-hydrazinylidene-1-oxo-4-propan-2-ylthiane?
The IUPAC name of 1-hydrazinylidene-1-oxo-4-propan-2-ylthiane (CID 138494031) is 1-hydrazinylidene-1-oxo-4-propan-2-ylthiane.
What is the SMILES notation for 1-hydrazinylidene-1-oxo-4-propan-2-ylthiane?
The canonical SMILES for 1-hydrazinylidene-1-oxo-4-propan-2-ylthiane is CC(C)C1CCS(=O)(=NN)CC1.
What is the InChIKey of 1-hydrazinylidene-1-oxo-4-propan-2-ylthiane?
The InChIKey is FUHICDLZPUZNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-7(2)8-3-5-12(11,10-9)6-4-8/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 1-hydrazinylidene-1-oxo-4-propan-2-ylthiane?
1-hydrazinylidene-1-oxo-4-propan-2-ylthiane has a molecular weight of 190.31 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinylidene-1-oxo-4-propan-2-ylthiane is sourced from PubChem (CID 138494031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).