(1,1-dioxothiolan-3-yl)hydrazine;hydrochloride

C4H11ClN2O2S — CID 2770116

IUPAC(1,1-dioxothiolan-3-yl)hydrazine;hydrochloride
SMILESCl.NNC1CCS(=O)(=O)C1
InChIInChI=1S/C4H10N2O2S.ClH/c5-6-4-1-2-9(7,8)3-4;/h4,6H,1-3,5H2;1H
InChIKeyJJAQVUUCQRGKIM-UHFFFAOYSA-N
MW186.66 g/mol
LogP-0.94
Rot. Bonds1

About (1,1-dioxothiolan-3-yl)hydrazine;hydrochloride

(1,1-dioxothiolan-3-yl)hydrazine;hydrochloride (PubChem CID 2770116) has the molecular formula C4H11ClN2O2S and a molecular weight of 186.66 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)hydrazine;hydrochloride.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)hydrazine;hydrochloride
PubChem CID2770116
Molecular FormulaC4H11ClN2O2S
Molecular Weight186.66 g/mol
Exact Mass186.02
IUPAC Name(1,1-dioxothiolan-3-yl)hydrazine;hydrochloride
SMILESCl.NNC1CCS(=O)(=O)C1
InChIInChI=1S/C4H10N2O2S.ClH/c5-6-4-1-2-9(7,8)3-4;/h4,6H,1-3,5H2;1H
InChIKeyJJAQVUUCQRGKIM-UHFFFAOYSA-N
XLogP-0.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 5-0.94
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

[(1,1-dioxothiolan-3-yl)amino]azanium;hydrochloride
CID 155928072
(3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine
CID 98143335
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride
CID 146012772
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
[(3R)-1,1-dihydroxythiolan-3-yl]hydrazine
CID 124562213
3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride
CID 42943455
(3R)-1,1-dioxothiolan-3-amine;hydrochloride
CID 67041261
1,1-dioxothiolan-3-amine;hydrochloride
CID 2795201
N-(1,1-dioxothiolan-3-yl)carbamoyl iodide
CID 126633838

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)hydrazine;hydrochloride?
The IUPAC name of (1,1-dioxothiolan-3-yl)hydrazine;hydrochloride (CID 2770116) is (1,1-dioxothiolan-3-yl)hydrazine;hydrochloride.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)hydrazine;hydrochloride?
The canonical SMILES for (1,1-dioxothiolan-3-yl)hydrazine;hydrochloride is Cl.NNC1CCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)hydrazine;hydrochloride?
The InChIKey is JJAQVUUCQRGKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S.ClH/c5-6-4-1-2-9(7,8)3-4;/h4,6H,1-3,5H2;1H.
What are the key properties of (1,1-dioxothiolan-3-yl)hydrazine;hydrochloride?
(1,1-dioxothiolan-3-yl)hydrazine;hydrochloride has a molecular weight of 186.66 g/mol, XLogP of -0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)hydrazine;hydrochloride is sourced from PubChem (CID 2770116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).