(1,1-dioxothian-4-yl)hydrazine;hydrochloride

C5H13ClN2O2S — CID 71758277

IUPAC(1,1-dioxothian-4-yl)hydrazine;hydrochloride
SMILESCl.NNC1CCS(=O)(=O)CC1
InChIInChI=1S/C5H12N2O2S.ClH/c6-7-5-1-3-10(8,9)4-2-5;/h5,7H,1-4,6H2;1H
InChIKeyBWIROBKUYAHKFS-UHFFFAOYSA-N
MW200.69 g/mol
LogP-0.55
Rot. Bonds1

About (1,1-dioxothian-4-yl)hydrazine;hydrochloride

(1,1-dioxothian-4-yl)hydrazine;hydrochloride (PubChem CID 71758277) has the molecular formula C5H13ClN2O2S and a molecular weight of 200.69 g/mol. Its IUPAC name is (1,1-dioxothian-4-yl)hydrazine;hydrochloride.

Molecular Properties

Compound Name(1,1-dioxothian-4-yl)hydrazine;hydrochloride
PubChem CID71758277
Molecular FormulaC5H13ClN2O2S
Molecular Weight200.69 g/mol
Exact Mass200.04
IUPAC Name(1,1-dioxothian-4-yl)hydrazine;hydrochloride
SMILESCl.NNC1CCS(=O)(=O)CC1
InChIInChI=1S/C5H12N2O2S.ClH/c6-7-5-1-3-10(8,9)4-2-5;/h5,7H,1-4,6H2;1H
InChIKeyBWIROBKUYAHKFS-UHFFFAOYSA-N
XLogP-0.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 5-0.55
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

(tetrahydro-3-thienyl)hydrazine S,S-dioxide
CID 103013
3-Hydrazinyl-1lambda6-thiane-1,1-dione dihydrochloride
CID 134690775
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-(1,1-Dioxothiolan-3-yl)-2-methylhydrazine
CID 57612898
(1,1-Dihydroxythian-4-yl)hydrazine;hydrochloride
CID 126619325
(2-Methyl-1,1-dioxothiolan-3-yl)hydrazine
CID 127012543
(1,1-Dioxothiolan-3-yl)hydrazine;dihydrochloride
CID 156266998
(1,1-Dioxidotetrahydrothiophen-3-yl)hydrazinium
CID 3673115

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-4-yl)hydrazine;hydrochloride?
The IUPAC name of (1,1-dioxothian-4-yl)hydrazine;hydrochloride (CID 71758277) is (1,1-dioxothian-4-yl)hydrazine;hydrochloride.
What is the SMILES notation for (1,1-dioxothian-4-yl)hydrazine;hydrochloride?
The canonical SMILES for (1,1-dioxothian-4-yl)hydrazine;hydrochloride is Cl.NNC1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxothian-4-yl)hydrazine;hydrochloride?
The InChIKey is BWIROBKUYAHKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S.ClH/c6-7-5-1-3-10(8,9)4-2-5;/h5,7H,1-4,6H2;1H.
What are the key properties of (1,1-dioxothian-4-yl)hydrazine;hydrochloride?
(1,1-dioxothian-4-yl)hydrazine;hydrochloride has a molecular weight of 200.69 g/mol, XLogP of -0.55, 1 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)hydrazine;hydrochloride is sourced from PubChem (CID 71758277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).