tert-butyl formate;sulfanylidenemethylidenehydrazine

C6H12N2O2S — CID 174512249

IUPACtert-butyl formate;sulfanylidenemethylidenehydrazine
SMILESCC(C)(C)OC=O.NN=C=S
InChIInChI=1S/C5H10O2.CH2N2S/c1-5(2,3)7-4-6;2-3-1-4/h4H,1-3H3;2H2
InChIKeyGZNZTSNRQXNIAW-UHFFFAOYSA-N
MW176.24 g/mol
LogP0.92
Rot. Bonds1

About tert-butyl formate;sulfanylidenemethylidenehydrazine

tert-butyl formate;sulfanylidenemethylidenehydrazine (PubChem CID 174512249) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is tert-butyl formate;sulfanylidenemethylidenehydrazine.

Molecular Properties

Compound Nametert-butyl formate;sulfanylidenemethylidenehydrazine
PubChem CID174512249
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC Nametert-butyl formate;sulfanylidenemethylidenehydrazine
SMILESCC(C)(C)OC=O.NN=C=S
InChIInChI=1S/C5H10O2.CH2N2S/c1-5(2,3)7-4-6;2-3-1-4/h4H,1-3H3;2H2
InChIKeyGZNZTSNRQXNIAW-UHFFFAOYSA-N
XLogP0.92
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;sulfanylidenemethylidenehydrazine?
The IUPAC name of tert-butyl formate;sulfanylidenemethylidenehydrazine (CID 174512249) is tert-butyl formate;sulfanylidenemethylidenehydrazine.
What is the SMILES notation for tert-butyl formate;sulfanylidenemethylidenehydrazine?
The canonical SMILES for tert-butyl formate;sulfanylidenemethylidenehydrazine is CC(C)(C)OC=O.NN=C=S.
What is the InChIKey of tert-butyl formate;sulfanylidenemethylidenehydrazine?
The InChIKey is GZNZTSNRQXNIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.CH2N2S/c1-5(2,3)7-4-6;2-3-1-4/h4H,1-3H3;2H2.
What are the key properties of tert-butyl formate;sulfanylidenemethylidenehydrazine?
tert-butyl formate;sulfanylidenemethylidenehydrazine has a molecular weight of 176.24 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;sulfanylidenemethylidenehydrazine is sourced from PubChem (CID 174512249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).