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

C5H12N2O2S — CID 4737809

IUPAC(3-methyl-1,1-dioxothiolan-3-yl)hydrazine
SMILESCC1(NN)CCS(=O)(=O)C1
InChIInChI=1S/C5H12N2O2S/c1-5(7-6)2-3-10(8,9)4-5/h7H,2-4,6H2,1H3
InChIKeyGQBCUVUIZMAQCO-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.97
Rot. Bonds1

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

(3-methyl-1,1-dioxothiolan-3-yl)hydrazine (PubChem CID 4737809) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is (3-methyl-1,1-dioxothiolan-3-yl)hydrazine.

Molecular Properties

Compound Name(3-methyl-1,1-dioxothiolan-3-yl)hydrazine
PubChem CID4737809
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name(3-methyl-1,1-dioxothiolan-3-yl)hydrazine
SMILESCC1(NN)CCS(=O)(=O)C1
InChIInChI=1S/C5H12N2O2S/c1-5(7-6)2-3-10(8,9)4-5/h7H,2-4,6H2,1H3
InChIKeyGQBCUVUIZMAQCO-UHFFFAOYSA-N
XLogP-0.97
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 ≤ 5-0.97
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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Related Compounds

3-Hydrazinyl-3-methyl-1lambda6-thiolane-1,1-dione hydrochloride
CID 42917392
1-(1,1-Dioxothiolan-3-yl)-2-methylhydrazine
CID 57612898
(2-Methyl-1-methylsulfonylpropan-2-yl)hydrazine
CID 140354297
[(3-Methyl-1,1-dioxothiolan-3-yl)amino]azanium
CID 5015459
[(3S)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine
CID 7058885
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine
CID 7058887
[(3-Methyl-1,1-dioxothiolan-3-yl)amino]azanium chloride
CID 21206197
1,1-Dimethyl-2-(3-methyl-1,1-dioxothiolan-3-yl)hydrazine
CID 21206245
Dimethylamino-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride
CID 21206247
1-(1,1-Dioxothiolan-3-yl)-2-ethylhydrazine
CID 83381389
[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine
CID 125473290
[(3S,4S)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine
CID 125473291

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,1-dioxothiolan-3-yl)hydrazine?
The IUPAC name of (3-methyl-1,1-dioxothiolan-3-yl)hydrazine (CID 4737809) is (3-methyl-1,1-dioxothiolan-3-yl)hydrazine.
What is the SMILES notation for (3-methyl-1,1-dioxothiolan-3-yl)hydrazine?
The canonical SMILES for (3-methyl-1,1-dioxothiolan-3-yl)hydrazine is CC1(NN)CCS(=O)(=O)C1.
What is the InChIKey of (3-methyl-1,1-dioxothiolan-3-yl)hydrazine?
The InChIKey is GQBCUVUIZMAQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-5(7-6)2-3-10(8,9)4-5/h7H,2-4,6H2,1H3.
What are the key properties of (3-methyl-1,1-dioxothiolan-3-yl)hydrazine?
(3-methyl-1,1-dioxothiolan-3-yl)hydrazine has a molecular weight of 164.23 g/mol, XLogP of -0.97, 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-3-yl)hydrazine is sourced from PubChem (CID 4737809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).