(3-methyl-1,1-dioxothiolan-2-yl)hydrazine

C5H12N2O2S — CID 154229907

IUPAC(3-methyl-1,1-dioxothiolan-2-yl)hydrazine
SMILESCC1CCS(=O)(=O)C1NN
InChIInChI=1S/C5H12N2O2S/c1-4-2-3-10(8,9)5(4)7-6/h4-5,7H,2-3,6H2,1H3
InChIKeyZTTNTOLTNJRDMY-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.77
Rot. Bonds1

About (3-methyl-1,1-dioxothiolan-2-yl)hydrazine

(3-methyl-1,1-dioxothiolan-2-yl)hydrazine (PubChem CID 154229907) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is (3-methyl-1,1-dioxothiolan-2-yl)hydrazine.

Molecular Properties

Compound Name(3-methyl-1,1-dioxothiolan-2-yl)hydrazine
PubChem CID154229907
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name(3-methyl-1,1-dioxothiolan-2-yl)hydrazine
SMILESCC1CCS(=O)(=O)C1NN
InChIInChI=1S/C5H12N2O2S/c1-4-2-3-10(8,9)5(4)7-6/h4-5,7H,2-3,6H2,1H3
InChIKeyZTTNTOLTNJRDMY-UHFFFAOYSA-N
XLogP-0.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.77
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 (3-methyl-1,1-dioxothiolan-2-yl)hydrazine?
The IUPAC name of (3-methyl-1,1-dioxothiolan-2-yl)hydrazine (CID 154229907) is (3-methyl-1,1-dioxothiolan-2-yl)hydrazine.
What is the SMILES notation for (3-methyl-1,1-dioxothiolan-2-yl)hydrazine?
The canonical SMILES for (3-methyl-1,1-dioxothiolan-2-yl)hydrazine is CC1CCS(=O)(=O)C1NN.
What is the InChIKey of (3-methyl-1,1-dioxothiolan-2-yl)hydrazine?
The InChIKey is ZTTNTOLTNJRDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-4-2-3-10(8,9)5(4)7-6/h4-5,7H,2-3,6H2,1H3.
What are the key properties of (3-methyl-1,1-dioxothiolan-2-yl)hydrazine?
(3-methyl-1,1-dioxothiolan-2-yl)hydrazine has a molecular weight of 164.23 g/mol, XLogP of -0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,1-dioxothiolan-2-yl)hydrazine is sourced from PubChem (CID 154229907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).