1-methyl-1-(1-oxothiolan-3-yl)hydrazine

C5H12N2OS — CID 123788852

IUPAC1-methyl-1-(1-oxothiolan-3-yl)hydrazine
SMILESCN(N)C1CCS(=O)C1
InChIInChI=1S/C5H12N2OS/c1-7(6)5-2-3-9(8)4-5/h5H,2-4,6H2,1H3
InChIKeyDUBKUJOUBAWOOP-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.69
Rot. Bonds1

About 1-methyl-1-(1-oxothiolan-3-yl)hydrazine

1-methyl-1-(1-oxothiolan-3-yl)hydrazine (PubChem CID 123788852) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 1-methyl-1-(1-oxothiolan-3-yl)hydrazine.

Molecular Properties

Compound Name1-methyl-1-(1-oxothiolan-3-yl)hydrazine
PubChem CID123788852
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name1-methyl-1-(1-oxothiolan-3-yl)hydrazine
SMILESCN(N)C1CCS(=O)C1
InChIInChI=1S/C5H12N2OS/c1-7(6)5-2-3-9(8)4-5/h5H,2-4,6H2,1H3
InChIKeyDUBKUJOUBAWOOP-UHFFFAOYSA-N
XLogP-0.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-1-(1-oxothiolan-3-yl)hydrazine?
The IUPAC name of 1-methyl-1-(1-oxothiolan-3-yl)hydrazine (CID 123788852) is 1-methyl-1-(1-oxothiolan-3-yl)hydrazine.
What is the SMILES notation for 1-methyl-1-(1-oxothiolan-3-yl)hydrazine?
The canonical SMILES for 1-methyl-1-(1-oxothiolan-3-yl)hydrazine is CN(N)C1CCS(=O)C1.
What is the InChIKey of 1-methyl-1-(1-oxothiolan-3-yl)hydrazine?
The InChIKey is DUBKUJOUBAWOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-7(6)5-2-3-9(8)4-5/h5H,2-4,6H2,1H3.
What are the key properties of 1-methyl-1-(1-oxothiolan-3-yl)hydrazine?
1-methyl-1-(1-oxothiolan-3-yl)hydrazine has a molecular weight of 148.23 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-oxothiolan-3-yl)hydrazine is sourced from PubChem (CID 123788852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).