(1,1-dioxothian-4-yl)methylhydrazine

C6H14N2O2S — CID 84656673

IUPAC(1,1-dioxothian-4-yl)methylhydrazine
SMILESNNCC1CCS(=O)(=O)CC1
InChIInChI=1S/C6H14N2O2S/c7-8-5-6-1-3-11(9,10)4-2-6/h6,8H,1-5,7H2
InChIKeyMMCLGJCINPGJBJ-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.73
Rot. Bonds2

About (1,1-dioxothian-4-yl)methylhydrazine

(1,1-dioxothian-4-yl)methylhydrazine (PubChem CID 84656673) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is (1,1-dioxothian-4-yl)methylhydrazine.

Molecular Properties

Compound Name(1,1-dioxothian-4-yl)methylhydrazine
PubChem CID84656673
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name(1,1-dioxothian-4-yl)methylhydrazine
SMILESNNCC1CCS(=O)(=O)CC1
InChIInChI=1S/C6H14N2O2S/c7-8-5-6-1-3-11(9,10)4-2-6/h6,8H,1-5,7H2
InChIKeyMMCLGJCINPGJBJ-UHFFFAOYSA-N
XLogP-0.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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 (1,1-dioxothian-4-yl)methylhydrazine?
The IUPAC name of (1,1-dioxothian-4-yl)methylhydrazine (CID 84656673) is (1,1-dioxothian-4-yl)methylhydrazine.
What is the SMILES notation for (1,1-dioxothian-4-yl)methylhydrazine?
The canonical SMILES for (1,1-dioxothian-4-yl)methylhydrazine is NNCC1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxothian-4-yl)methylhydrazine?
The InChIKey is MMCLGJCINPGJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c7-8-5-6-1-3-11(9,10)4-2-6/h6,8H,1-5,7H2.
What are the key properties of (1,1-dioxothian-4-yl)methylhydrazine?
(1,1-dioxothian-4-yl)methylhydrazine has a molecular weight of 178.26 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-4-yl)methylhydrazine is sourced from PubChem (CID 84656673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).