(2,4-dimethyl-1,1-dioxothiolan-3-yl)hydrazine

C6H14N2O2S — CID 154245017

IUPAC(2,4-dimethyl-1,1-dioxothiolan-3-yl)hydrazine
SMILESCC1CS(=O)(=O)C(C)C1NN
InChIInChI=1S/C6H14N2O2S/c1-4-3-11(9,10)5(2)6(4)8-7/h4-6,8H,3,7H2,1-2H3
InChIKeyXJRQCTYNUSKXDG-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.73
Rot. Bonds1

About (2,4-dimethyl-1,1-dioxothiolan-3-yl)hydrazine

(2,4-dimethyl-1,1-dioxothiolan-3-yl)hydrazine (PubChem CID 154245017) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is (2,4-dimethyl-1,1-dioxothiolan-3-yl)hydrazine.

Molecular Properties

Compound Name(2,4-dimethyl-1,1-dioxothiolan-3-yl)hydrazine
PubChem CID154245017
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name(2,4-dimethyl-1,1-dioxothiolan-3-yl)hydrazine
SMILESCC1CS(=O)(=O)C(C)C1NN
InChIInChI=1S/C6H14N2O2S/c1-4-3-11(9,10)5(2)6(4)8-7/h4-6,8H,3,7H2,1-2H3
InChIKeyXJRQCTYNUSKXDG-UHFFFAOYSA-N
XLogP-0.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.73
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 (2,4-dimethyl-1,1-dioxothiolan-3-yl)hydrazine?
The IUPAC name of (2,4-dimethyl-1,1-dioxothiolan-3-yl)hydrazine (CID 154245017) is (2,4-dimethyl-1,1-dioxothiolan-3-yl)hydrazine.
What is the SMILES notation for (2,4-dimethyl-1,1-dioxothiolan-3-yl)hydrazine?
The canonical SMILES for (2,4-dimethyl-1,1-dioxothiolan-3-yl)hydrazine is CC1CS(=O)(=O)C(C)C1NN.
What is the InChIKey of (2,4-dimethyl-1,1-dioxothiolan-3-yl)hydrazine?
The InChIKey is XJRQCTYNUSKXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-4-3-11(9,10)5(2)6(4)8-7/h4-6,8H,3,7H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,1-dioxothiolan-3-yl)hydrazine?
(2,4-dimethyl-1,1-dioxothiolan-3-yl)hydrazine has a molecular weight of 178.26 g/mol, XLogP of -0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,1-dioxothiolan-3-yl)hydrazine is sourced from PubChem (CID 154245017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).