(1,1-dioxothian-3-yl)hydrazine;dihydrochloride

C5H14Cl2N2O2S — CID 134690775

IUPAC(1,1-dioxothian-3-yl)hydrazine;dihydrochloride
SMILESCl.Cl.NNC1CCCS(=O)(=O)C1
InChIInChI=1S/C5H12N2O2S.2ClH/c6-7-5-2-1-3-10(8,9)4-5;;/h5,7H,1-4,6H2;2*1H
InChIKeyRFNLRWVZHAQPFE-UHFFFAOYSA-N
MW237.15 g/mol
LogP-0.13
Rot. Bonds1

About (1,1-dioxothian-3-yl)hydrazine;dihydrochloride

(1,1-dioxothian-3-yl)hydrazine;dihydrochloride (PubChem CID 134690775) has the molecular formula C5H14Cl2N2O2S and a molecular weight of 237.15 g/mol. Its IUPAC name is (1,1-dioxothian-3-yl)hydrazine;dihydrochloride.

Molecular Properties

Compound Name(1,1-dioxothian-3-yl)hydrazine;dihydrochloride
PubChem CID134690775
Molecular FormulaC5H14Cl2N2O2S
Molecular Weight237.15 g/mol
Exact Mass236.02
IUPAC Name(1,1-dioxothian-3-yl)hydrazine;dihydrochloride
SMILESCl.Cl.NNC1CCCS(=O)(=O)C1
InChIInChI=1S/C5H12N2O2S.2ClH/c6-7-5-2-1-3-10(8,9)4-5;;/h5,7H,1-4,6H2;2*1H
InChIKeyRFNLRWVZHAQPFE-UHFFFAOYSA-N
XLogP-0.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.15
LogP ≤ 5-0.13
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-Hydrazinyl-1lambda6-thiane-1,1-dione hydrochloride
CID 71758277
(Thian-3-yl)hydrazine dihydrochloride
CID 137838599
4-(Hydrazinylmethyl)-1lambda6-thiane-1,1-dione hydrochloride
CID 155819743
[(1,1-Dioxothiolan-3-yl)amino]azanium;chloride
CID 2736526
(1,1-Dioxidotetrahydrothien-3-yl)hydrazine hydrochloride
CID 2770116
4-Hydrazinyltetrahydro-2H-thiopyran 1,1-dioxide
CID 61278929
3-Hydrazinyl-1lambda6-thiane-1,1-dione
CID 63923655
(1,1-Dioxothiolan-3-yl)hydrazine;dihydrochloride
CID 156266998
(1,1-Dioxothiolan-3-yl)hydrazine chloride
CID 16461206
2-(1,1-Dioxothian-3-yl)-1,1-dimethylhydrazine
CID 83006949
(1,1-Dioxothiepan-4-yl)hydrazine
CID 84656671
(1,1-Dioxothian-2-yl)methylhydrazine
CID 84656675

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-3-yl)hydrazine;dihydrochloride?
The IUPAC name of (1,1-dioxothian-3-yl)hydrazine;dihydrochloride (CID 134690775) is (1,1-dioxothian-3-yl)hydrazine;dihydrochloride.
What is the SMILES notation for (1,1-dioxothian-3-yl)hydrazine;dihydrochloride?
The canonical SMILES for (1,1-dioxothian-3-yl)hydrazine;dihydrochloride is Cl.Cl.NNC1CCCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxothian-3-yl)hydrazine;dihydrochloride?
The InChIKey is RFNLRWVZHAQPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S.2ClH/c6-7-5-2-1-3-10(8,9)4-5;;/h5,7H,1-4,6H2;2*1H.
What are the key properties of (1,1-dioxothian-3-yl)hydrazine;dihydrochloride?
(1,1-dioxothian-3-yl)hydrazine;dihydrochloride has a molecular weight of 237.15 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-3-yl)hydrazine;dihydrochloride is sourced from PubChem (CID 134690775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).