2-(1,1-dioxothian-3-yl)ethylhydrazine

C7H16N2O2S — CID 84664357

IUPAC2-(1,1-dioxothian-3-yl)ethylhydrazine
SMILESNNCCC1CCCS(=O)(=O)C1
InChIInChI=1S/C7H16N2O2S/c8-9-4-3-7-2-1-5-12(10,11)6-7/h7,9H,1-6,8H2
InChIKeyYXUHAGCSBOBTHE-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.34
Rot. Bonds3

About 2-(1,1-dioxothian-3-yl)ethylhydrazine

2-(1,1-dioxothian-3-yl)ethylhydrazine (PubChem CID 84664357) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-(1,1-dioxothian-3-yl)ethylhydrazine.

Molecular Properties

Compound Name2-(1,1-dioxothian-3-yl)ethylhydrazine
PubChem CID84664357
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2-(1,1-dioxothian-3-yl)ethylhydrazine
SMILESNNCCC1CCCS(=O)(=O)C1
InChIInChI=1S/C7H16N2O2S/c8-9-4-3-7-2-1-5-12(10,11)6-7/h7,9H,1-6,8H2
InChIKeyYXUHAGCSBOBTHE-UHFFFAOYSA-N
XLogP-0.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.34
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

4-(Hydrazinylmethyl)-1lambda6-thiane-1,1-dione hydrochloride
CID 155819743
4-(Hydrazinylmethyl)-1lambda6-thiane-1,1-dione
CID 84656673
2-(Thian-3-yl)ethylhydrazine
CID 84651119
(1,1-Dioxothian-3-yl)methylhydrazine
CID 84656672
2-(1,1-Dioxothiolan-3-yl)ethylhydrazine
CID 84656674
(1,1-Dioxothian-2-yl)methylhydrazine
CID 84656675
(1,1-Dioxothiepan-4-yl)methylhydrazine
CID 84664356
2-(1,1-Dioxothian-4-yl)ethylhydrazine
CID 84664358
(1,1-Dioxothiepan-3-yl)methylhydrazine
CID 84664360
2-(1,1-Dioxothian-2-yl)ethylhydrazine
CID 84664361
(6-Ethylsulfonyl-2-methylhexan-3-yl)hydrazine
CID 105199486
(1-Cyclohexyl-4-ethylsulfonylbutyl)hydrazine
CID 105201747

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothian-3-yl)ethylhydrazine?
The IUPAC name of 2-(1,1-dioxothian-3-yl)ethylhydrazine (CID 84664357) is 2-(1,1-dioxothian-3-yl)ethylhydrazine.
What is the SMILES notation for 2-(1,1-dioxothian-3-yl)ethylhydrazine?
The canonical SMILES for 2-(1,1-dioxothian-3-yl)ethylhydrazine is NNCCC1CCCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothian-3-yl)ethylhydrazine?
The InChIKey is YXUHAGCSBOBTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c8-9-4-3-7-2-1-5-12(10,11)6-7/h7,9H,1-6,8H2.
What are the key properties of 2-(1,1-dioxothian-3-yl)ethylhydrazine?
2-(1,1-dioxothian-3-yl)ethylhydrazine has a molecular weight of 192.28 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothian-3-yl)ethylhydrazine is sourced from PubChem (CID 84664357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).